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-OO-c94c4512/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-OO-c94c4512/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-OO-c94c4512/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-OO-c94c4512/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-OO-c94c4512/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-OO-c94c4512/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-OO-c94c4512/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-OO-c94c4512/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-OO-c94c4512/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-OO-c94c4512/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-OO-c94c4512/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-OO-c94c4512/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-OO-c94c4512/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-OO-c94c4512/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-OO-c94c4512/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-OO-c94c4512/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-OO-c94c4512/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-OO-c94c4512/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-OO-c94c4512/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/15-Agno-OO-c94c4512/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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -143.364437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.364437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.364437 (E_RNA)
where:
Base-Base interactions energy: -74.876
where: short stacking energy: -45.297
Base-Backbone interact. energy: -0.315
local terms energy: -68.173936
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -12.325
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -154.370961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.370961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.370961 (E_RNA)
where:
Base-Base interactions energy: -79.677
where: short stacking energy: -28.361
Base-Backbone interact. energy: -0.442
local terms energy: -74.251752
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -145.469226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.469226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.469226 (E_RNA)
where:
Base-Base interactions energy: -73.205
where: short stacking energy: -42.084
Base-Backbone interact. energy: 2.352
local terms energy: -74.616323
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -217.560187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.560187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.560187 (E_RNA)
where:
Base-Base interactions energy: -142.309
where: short stacking energy: -63.419
Base-Backbone interact. energy: -0.396
local terms energy: -74.855393
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -18.237
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: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -177.056073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.056073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.056073 (E_RNA)
where:
Base-Base interactions energy: -108.828
where: short stacking energy: -46.237
Base-Backbone interact. energy: -0.360
local terms energy: -67.868117
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -110.507643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.507643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.507643 (E_RNA)
where:
Base-Base interactions energy: -51.766
where: short stacking energy: -40.883
Base-Backbone interact. energy: -0.266
local terms energy: -58.476236
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -112.735313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.735313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.735313 (E_RNA)
where:
Base-Base interactions energy: -46.487
where: short stacking energy: -33.741
Base-Backbone interact. energy: -1.193
local terms energy: -65.055228
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -233.456064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.456064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.456064 (E_RNA)
where:
Base-Base interactions energy: -151.846
where: short stacking energy: -73.954
Base-Backbone interact. energy: -0.004
local terms energy: -81.606641
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -109.822528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.822528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.822528 (E_RNA)
where:
Base-Base interactions energy: -37.511
where: short stacking energy: -35.912
Base-Backbone interact. energy: -0.953
local terms energy: -71.358839
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -3.990
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -212.771224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.771224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.771224 (E_RNA)
where:
Base-Base interactions energy: -144.444
where: short stacking energy: -61.332
Base-Backbone interact. energy: 0.853
local terms energy: -69.180407
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -162.884379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.884379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.884379 (E_RNA)
where:
Base-Base interactions energy: -95.121
where: short stacking energy: -46.953
Base-Backbone interact. energy: -0.997
local terms energy: -66.766855
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -11.749
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: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -95.241582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.241582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.241582 (E_RNA)
where:
Base-Base interactions energy: -35.841
where: short stacking energy: -18.655
Base-Backbone interact. energy: -0.611
local terms energy: -58.789140
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -93.435936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.435936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.435936 (E_RNA)
where:
Base-Base interactions energy: -28.034
where: short stacking energy: -28.034
Base-Backbone interact. energy: -0.182
local terms energy: -65.220471
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: -248.060492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.060492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.060492 (E_RNA)
where:
Base-Base interactions energy: -161.334
where: short stacking energy: -78.467
Base-Backbone interact. energy: 1.423
local terms energy: -88.148803
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -6.909
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: 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: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -260.117316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.117316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.117316 (E_RNA)
where:
Base-Base interactions energy: -180.157
where: short stacking energy: -75.145
Base-Backbone interact. energy: -1.144
local terms energy: -78.815872
where:
bonds (distance) C4'-P energy: -3.958
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -15.138
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: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -113.797568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.797568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.797568 (E_RNA)
where:
Base-Base interactions energy: -43.551
where: short stacking energy: -40.264
Base-Backbone interact. energy: -0.097
local terms energy: -70.149294
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -157.649680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.649680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.649680 (E_RNA)
where:
Base-Base interactions energy: -99.595
where: short stacking energy: -43.329
Base-Backbone interact. energy: 3.009
local terms energy: -61.063033
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -100.557677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.557677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.557677 (E_RNA)
where:
Base-Base interactions energy: -38.532
where: short stacking energy: -24.548
Base-Backbone interact. energy: -0.429
local terms energy: -61.596785
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: 2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -87.041011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.041011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.041011 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -31.558
Base-Backbone interact. energy: -0.156
local terms energy: -51.075268
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -246.274805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.274805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.274805 (E_RNA)
where:
Base-Base interactions energy: -150.022
where: short stacking energy: -81.773
Base-Backbone interact. energy: -0.011
local terms energy: -96.241777
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -15.485
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: 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: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -252.151877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.151877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.151877 (E_RNA)
where:
Base-Base interactions energy: -162.142
where: short stacking energy: -69.772
Base-Backbone interact. energy: 1.698
local terms energy: -91.707819
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -13.889
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: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -156.530549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.530549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.530549 (E_RNA)
where:
Base-Base interactions energy: -94.319
where: short stacking energy: -36.233
Base-Backbone interact. energy: -0.566
local terms energy: -61.645803
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -7.228
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: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -174.464475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.464475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.464475 (E_RNA)
where:
Base-Base interactions energy: -91.337
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.598
local terms energy: -82.529506
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -11.988
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: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -100.164402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.164402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.164402 (E_RNA)
where:
Base-Base interactions energy: -42.577
where: short stacking energy: -41.865
Base-Backbone interact. energy: -0.762
local terms energy: -56.825408
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -8.731
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -109.715015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.715015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.715015 (E_RNA)
where:
Base-Base interactions energy: -42.096
where: short stacking energy: -41.315
Base-Backbone interact. energy: -1.236
local terms energy: -66.383323
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -99.112652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.112652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.112652 (E_RNA)
where:
Base-Base interactions energy: -36.400
where: short stacking energy: -36.400
Base-Backbone interact. energy: -0.225
local terms energy: -62.487411
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -102.829211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.829211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.829211 (E_RNA)
where:
Base-Base interactions energy: -42.593
where: short stacking energy: -26.447
Base-Backbone interact. energy: -0.094
local terms energy: -60.142632
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -246.902625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.902625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.902625 (E_RNA)
where:
Base-Base interactions energy: -162.669
where: short stacking energy: -83.549
Base-Backbone interact. energy: -0.013
local terms energy: -84.221351
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -24.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
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: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -273.813643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.813643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.813643 (E_RNA)
where:
Base-Base interactions energy: -184.791
where: short stacking energy: -75.280
Base-Backbone interact. energy: -0.175
local terms energy: -88.847346
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -23.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -191.792712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.792712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.792712 (E_RNA)
where:
Base-Base interactions energy: -120.371
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.429
local terms energy: -70.992628
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -156.190748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.190748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.190748 (E_RNA)
where:
Base-Base interactions energy: -92.895
where: short stacking energy: -51.503
Base-Backbone interact. energy: -0.142
local terms energy: -63.153546
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: 3.021
tors. eta vs tors. theta energy: -9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -153.900301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.900301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.900301 (E_RNA)
where:
Base-Base interactions energy: -92.930
where: short stacking energy: -41.355
Base-Backbone interact. energy: -0.271
local terms energy: -60.699303
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -108.241953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.241953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.241953 (E_RNA)
where:
Base-Base interactions energy: -47.175
where: short stacking energy: -44.627
Base-Backbone interact. energy: -0.167
local terms energy: -60.900160
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -7.799
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: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -98.182917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.182917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.182917 (E_RNA)
where:
Base-Base interactions energy: -37.100
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.213
local terms energy: -60.869960
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -1.397
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: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -89.522398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.522398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.522398 (E_RNA)
where:
Base-Base interactions energy: -32.790
where: short stacking energy: -26.271
Base-Backbone interact. energy: 1.186
local terms energy: -57.918962
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -255.890513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.890513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.890513 (E_RNA)
where:
Base-Base interactions energy: -162.597
where: short stacking energy: -80.473
Base-Backbone interact. energy: -0.013
local terms energy: -93.280333
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -23.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -283.905535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.905535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.905535 (E_RNA)
where:
Base-Base interactions energy: -187.636
where: short stacking energy: -80.162
Base-Backbone interact. energy: -0.128
local terms energy: -96.142138
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -25.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -229.626401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.626401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.626401 (E_RNA)
where:
Base-Base interactions energy: -153.806
where: short stacking energy: -63.474
Base-Backbone interact. energy: -0.099
local terms energy: -75.721900
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -16.076
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: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -201.018914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.018914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.018914 (E_RNA)
where:
Base-Base interactions energy: -123.855
where: short stacking energy: -53.256
Base-Backbone interact. energy: -1.161
local terms energy: -76.002485
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -200.595558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.595558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.595558 (E_RNA)
where:
Base-Base interactions energy: -121.844
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.755
local terms energy: -77.997042
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -114.829781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.829781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.829781 (E_RNA)
where:
Base-Base interactions energy: -51.712
where: short stacking energy: -24.309
Base-Backbone interact. energy: 0.703
local terms energy: -63.820071
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: 1.097
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: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -133.603162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.603162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.603162 (E_RNA)
where:
Base-Base interactions energy: -65.465
where: short stacking energy: -32.392
Base-Backbone interact. energy: -0.317
local terms energy: -67.821217
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -106.589131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.589131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.589131 (E_RNA)
where:
Base-Base interactions energy: -41.205
where: short stacking energy: -31.662
Base-Backbone interact. energy: -0.877
local terms energy: -64.506810
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -91.596783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.596783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.596783 (E_RNA)
where:
Base-Base interactions energy: -40.344
where: short stacking energy: -20.476
Base-Backbone interact. energy: -1.371
local terms energy: -49.881172
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -7.867
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: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -295.648535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.648535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.648535 (E_RNA)
where:
Base-Base interactions energy: -193.540
where: short stacking energy: -82.898
Base-Backbone interact. energy: -1.222
local terms energy: -100.886309
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -26.773
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: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -248.522035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.522035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.522035 (E_RNA)
where:
Base-Base interactions energy: -156.341
where: short stacking energy: -75.839
Base-Backbone interact. energy: -0.122
local terms energy: -92.059234
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -25.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -238.025946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.025946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.025946 (E_RNA)
where:
Base-Base interactions energy: -162.003
where: short stacking energy: -70.013
Base-Backbone interact. energy: -0.183
local terms energy: -75.839475
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -3.010
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -231.593532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.593532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.593532 (E_RNA)
where:
Base-Base interactions energy: -144.523
where: short stacking energy: -65.413
Base-Backbone interact. energy: -0.041
local terms energy: -87.029109
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -11.541
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: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -197.150079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.150079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.150079 (E_RNA)
where:
Base-Base interactions energy: -123.409
where: short stacking energy: -57.682
Base-Backbone interact. energy: -0.253
local terms energy: -73.488283
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -136.739530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.739530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.739530 (E_RNA)
where:
Base-Base interactions energy: -69.025
where: short stacking energy: -45.938
Base-Backbone interact. energy: -0.260
local terms energy: -67.454218
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -8.118
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: 8, replica: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -98.676009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.676009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.676009 (E_RNA)
where:
Base-Base interactions energy: -29.875
where: short stacking energy: -22.274
Base-Backbone interact. energy: -0.858
local terms energy: -67.942854
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: 2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -96.071462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.071462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.071462 (E_RNA)
where:
Base-Base interactions energy: -33.695
where: short stacking energy: -28.123
Base-Backbone interact. energy: -0.299
local terms energy: -62.078147
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: 0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -94.011192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.011192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.011192 (E_RNA)
where:
Base-Base interactions energy: -39.527
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.898
local terms energy: -53.586289
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -296.384766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.384766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.384766 (E_RNA)
where:
Base-Base interactions energy: -195.579
where: short stacking energy: -98.056
Base-Backbone interact. energy: -0.018
local terms energy: -100.787606
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -29.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -228.831328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.831328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.831328 (E_RNA)
where:
Base-Base interactions energy: -141.878
where: short stacking energy: -62.545
Base-Backbone interact. energy: -0.030
local terms energy: -86.923329
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -244.004524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.004524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.004524 (E_RNA)
where:
Base-Base interactions energy: -168.964
where: short stacking energy: -66.735
Base-Backbone interact. energy: -0.041
local terms energy: -74.999223
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -225.299953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.299953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.299953 (E_RNA)
where:
Base-Base interactions energy: -147.230
where: short stacking energy: -75.425
Base-Backbone interact. energy: -0.150
local terms energy: -77.920680
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -6.397
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: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -221.611452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.611452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.611452 (E_RNA)
where:
Base-Base interactions energy: -144.082
where: short stacking energy: -61.122
Base-Backbone interact. energy: 0.943
local terms energy: -78.472809
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -166.581616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.581616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.581616 (E_RNA)
where:
Base-Base interactions energy: -102.322
where: short stacking energy: -43.530
Base-Backbone interact. energy: 1.514
local terms energy: -65.773509
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: 1
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -111.851718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.851718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.851718 (E_RNA)
where:
Base-Base interactions energy: -39.778
where: short stacking energy: -39.778
Base-Backbone interact. energy: -0.019
local terms energy: -72.055123
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -10.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -90.545910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.545910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.545910 (E_RNA)
where:
Base-Base interactions energy: -31.242
where: short stacking energy: -31.242
Base-Backbone interact. energy: -0.125
local terms energy: -59.179292
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -106.550712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.550712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.550712 (E_RNA)
where:
Base-Base interactions energy: -36.255
where: short stacking energy: -27.005
Base-Backbone interact. energy: -0.267
local terms energy: -70.028566
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -9.577
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: 1, replica: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -297.054202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.054202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.054202 (E_RNA)
where:
Base-Base interactions energy: -200.325
where: short stacking energy: -84.699
Base-Backbone interact. energy: -0.114
local terms energy: -96.614760
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -14.003
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: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -284.060849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.060849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.060849 (E_RNA)
where:
Base-Base interactions energy: -192.520
where: short stacking energy: -76.382
Base-Backbone interact. energy: -0.478
local terms energy: -91.062192
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -9.318
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: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -241.392980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.392980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.392980 (E_RNA)
where:
Base-Base interactions energy: -152.372
where: short stacking energy: -61.247
Base-Backbone interact. energy: -0.654
local terms energy: -88.367272
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -226.411759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.411759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.411759 (E_RNA)
where:
Base-Base interactions energy: -153.822
where: short stacking energy: -65.902
Base-Backbone interact. energy: -0.395
local terms energy: -72.194650
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -219.505523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.505523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.505523 (E_RNA)
where:
Base-Base interactions energy: -138.085
where: short stacking energy: -68.802
Base-Backbone interact. energy: 1.429
local terms energy: -82.850131
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -17.307
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: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -211.743008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.743008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.743008 (E_RNA)
where:
Base-Base interactions energy: -125.948
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.004
local terms energy: -85.790474
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -14.929
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: 7, replica: 1
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -110.120567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.120567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.120567 (E_RNA)
where:
Base-Base interactions energy: -49.527
where: short stacking energy: -27.651
Base-Backbone interact. energy: -0.364
local terms energy: -60.229087
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -95.498926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.498926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.498926 (E_RNA)
where:
Base-Base interactions energy: -25.515
where: short stacking energy: -23.837
Base-Backbone interact. energy: -0.045
local terms energy: -69.938894
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -91.305239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.305239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.305239 (E_RNA)
where:
Base-Base interactions energy: -43.510
where: short stacking energy: -17.012
Base-Backbone interact. energy: -0.678
local terms energy: -47.116678
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -305.329822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.329822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.329822 (E_RNA)
where:
Base-Base interactions energy: -211.595
where: short stacking energy: -91.218
Base-Backbone interact. energy: -0.104
local terms energy: -93.630538
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -23.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -294.283786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.283786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.283786 (E_RNA)
where:
Base-Base interactions energy: -200.949
where: short stacking energy: -78.903
Base-Backbone interact. energy: -0.126
local terms energy: -93.209004
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -10.105
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: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -238.572587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.572587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.572587 (E_RNA)
where:
Base-Base interactions energy: -154.062
where: short stacking energy: -73.354
Base-Backbone interact. energy: -0.006
local terms energy: -84.504630
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -20.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -226.239196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.239196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.239196 (E_RNA)
where:
Base-Base interactions energy: -148.960
where: short stacking energy: -58.333
Base-Backbone interact. energy: -0.425
local terms energy: -76.854306
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -17.233
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: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -234.126439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.126439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.126439 (E_RNA)
where:
Base-Base interactions energy: -155.823
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.436
local terms energy: -77.867543
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -11.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -225.343126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.343126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.343126 (E_RNA)
where:
Base-Base interactions energy: -147.973
where: short stacking energy: -68.184
Base-Backbone interact. energy: -0.090
local terms energy: -77.280185
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -18.936
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: 13
Temperature: 1.200000
Total energy: -98.096117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.096117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.096117 (E_RNA)
where:
Base-Base interactions energy: -34.837
where: short stacking energy: -29.998
Base-Backbone interact. energy: 0.105
local terms energy: -63.364225
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -6.964
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: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -92.301691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.301691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.301691 (E_RNA)
where:
Base-Base interactions energy: -37.033
where: short stacking energy: -36.007
Base-Backbone interact. energy: 0.473
local terms energy: -55.740910
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 4
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -83.077708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.077708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.077708 (E_RNA)
where:
Base-Base interactions energy: -24.553
where: short stacking energy: -24.553
Base-Backbone interact. energy: -0.127
local terms energy: -58.398094
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: 0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -291.314583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.314583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.314583 (E_RNA)
where:
Base-Base interactions energy: -200.642
where: short stacking energy: -75.122
Base-Backbone interact. energy: -0.186
local terms energy: -90.487069
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -26.971
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: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -288.009376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.009376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.009376 (E_RNA)
where:
Base-Base interactions energy: -197.433
where: short stacking energy: -81.248
Base-Backbone interact. energy: -0.196
local terms energy: -90.380397
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -236.172603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.172603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.172603 (E_RNA)
where:
Base-Base interactions energy: -147.592
where: short stacking energy: -75.007
Base-Backbone interact. energy: 0.058
local terms energy: -88.639063
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -10.845
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: 4, replica: 9
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -231.802280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.802280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.802280 (E_RNA)
where:
Base-Base interactions energy: -152.236
where: short stacking energy: -64.208
Base-Backbone interact. energy: -0.282
local terms energy: -79.283829
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -230.872885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.872885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.872885 (E_RNA)
where:
Base-Base interactions energy: -148.891
where: short stacking energy: -73.053
Base-Backbone interact. energy: 0.242
local terms energy: -82.224153
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -212.304545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.304545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.304545 (E_RNA)
where:
Base-Base interactions energy: -138.997
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.049
local terms energy: -73.258847
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -14.246
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: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -112.205324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.205324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.205324 (E_RNA)
where:
Base-Base interactions energy: -52.212
where: short stacking energy: -35.218
Base-Backbone interact. energy: 1.083
local terms energy: -61.075843
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -108.211611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.211611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.211611 (E_RNA)
where:
Base-Base interactions energy: -42.532
where: short stacking energy: -39.614
Base-Backbone interact. energy: -0.119
local terms energy: -65.560438
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -3.981
tors. eta vs tors. theta energy: -5.953
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: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -90.408536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.408536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.408536 (E_RNA)
where:
Base-Base interactions energy: -33.785
where: short stacking energy: -21.802
Base-Backbone interact. energy: -0.316
local terms energy: -56.307674
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -10.540
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: 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: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -293.099874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.099874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.099874 (E_RNA)
where:
Base-Base interactions energy: -199.430
where: short stacking energy: -83.243
Base-Backbone interact. energy: -0.086
local terms energy: -93.584300
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -237.587006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.587006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.587006 (E_RNA)
where:
Base-Base interactions energy: -157.535
where: short stacking energy: -68.227
Base-Backbone interact. energy: -0.317
local terms energy: -79.735030
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -293.081161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.081161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.081161 (E_RNA)
where:
Base-Base interactions energy: -198.918
where: short stacking energy: -82.249
Base-Backbone interact. energy: -0.118
local terms energy: -94.044695
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -27.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -236.066140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.066140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.066140 (E_RNA)
where:
Base-Base interactions energy: -149.610
where: short stacking energy: -75.622
Base-Backbone interact. energy: -0.045
local terms energy: -86.410961
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -220.656422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.656422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.656422 (E_RNA)
where:
Base-Base interactions energy: -142.305
where: short stacking energy: -67.677
Base-Backbone interact. energy: -0.294
local terms energy: -78.057260
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -15.658
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: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -201.423298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.423298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.423298 (E_RNA)
where:
Base-Base interactions energy: -130.572
where: short stacking energy: -57.363
Base-Backbone interact. energy: -0.012
local terms energy: -70.838966
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -100.174811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.174811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.174811 (E_RNA)
where:
Base-Base interactions energy: -39.160
where: short stacking energy: -28.683
Base-Backbone interact. energy: -0.561
local terms energy: -60.454164
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -2.972
tors. eta vs tors. theta energy: -1.021
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: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -110.768699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.768699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.768699 (E_RNA)
where:
Base-Base interactions energy: -51.277
where: short stacking energy: -27.227
Base-Backbone interact. energy: -0.030
local terms energy: -59.462362
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -89.538135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.538135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.538135 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -38.196
Base-Backbone interact. energy: 2.544
local terms energy: -50.413958
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -291.014703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.014703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.014703 (E_RNA)
where:
Base-Base interactions energy: -199.523
where: short stacking energy: -80.163
Base-Backbone interact. energy: -0.371
local terms energy: -91.121150
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -11.288
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: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -249.795104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.795104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.795104 (E_RNA)
where:
Base-Base interactions energy: -165.605
where: short stacking energy: -60.380
Base-Backbone interact. energy: -1.086
local terms energy: -83.103956
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -14.893
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: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -247.934007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.934007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.934007 (E_RNA)
where:
Base-Base interactions energy: -169.780
where: short stacking energy: -75.113
Base-Backbone interact. energy: -0.157
local terms energy: -77.997533
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -12.875
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: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -269.864636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.864636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.864636 (E_RNA)
where:
Base-Base interactions energy: -185.214
where: short stacking energy: -79.681
Base-Backbone interact. energy: -0.273
local terms energy: -84.377569
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -226.498754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.498754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.498754 (E_RNA)
where:
Base-Base interactions energy: -143.296
where: short stacking energy: -65.065
Base-Backbone interact. energy: -0.239
local terms energy: -82.964246
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -193.077117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.077117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.077117 (E_RNA)
where:
Base-Base interactions energy: -131.072
where: short stacking energy: -57.551
Base-Backbone interact. energy: -0.238
local terms energy: -61.766846
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -108.390456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.390456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.390456 (E_RNA)
where:
Base-Base interactions energy: -41.290
where: short stacking energy: -36.034
Base-Backbone interact. energy: -0.104
local terms energy: -66.996690
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -11.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -96.798105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.798105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.798105 (E_RNA)
where:
Base-Base interactions energy: -39.102
where: short stacking energy: -37.521
Base-Backbone interact. energy: -0.225
local terms energy: -57.470558
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -8.797
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: 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: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -77.068656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.068656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.068656 (E_RNA)
where:
Base-Base interactions energy: -25.227
where: short stacking energy: -16.172
Base-Backbone interact. energy: -0.539
local terms energy: -51.302138
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -297.559064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.559064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.559064 (E_RNA)
where:
Base-Base interactions energy: -205.146
where: short stacking energy: -76.434
Base-Backbone interact. energy: -0.095
local terms energy: -92.318721
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -26.383
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: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -263.528388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.528388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.528388 (E_RNA)
where:
Base-Base interactions energy: -176.446
where: short stacking energy: -74.509
Base-Backbone interact. energy: -0.140
local terms energy: -86.942740
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -262.942567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.942567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.942567 (E_RNA)
where:
Base-Base interactions energy: -166.274
where: short stacking energy: -75.788
Base-Backbone interact. energy: -0.365
local terms energy: -96.303039
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -25.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -268.862086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.862086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.862086 (E_RNA)
where:
Base-Base interactions energy: -184.051
where: short stacking energy: -75.166
Base-Backbone interact. energy: 0.100
local terms energy: -84.910827
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -21.504
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: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -217.384906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.384906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.384906 (E_RNA)
where:
Base-Base interactions energy: -146.758
where: short stacking energy: -65.254
Base-Backbone interact. energy: 0.451
local terms energy: -71.078190
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -16.350
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: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -199.651528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.651528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.651528 (E_RNA)
where:
Base-Base interactions energy: -117.511
where: short stacking energy: -49.164
Base-Backbone interact. energy: -0.010
local terms energy: -82.129988
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -110.711584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.711584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.711584 (E_RNA)
where:
Base-Base interactions energy: -36.305
where: short stacking energy: -34.396
Base-Backbone interact. energy: 0.270
local terms energy: -74.676192
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -9.808
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: 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: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -108.264941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.264941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.264941 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -35.419
Base-Backbone interact. energy: -0.007
local terms energy: -72.838383
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -97.514948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.514948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.514948 (E_RNA)
where:
Base-Base interactions energy: -36.780
where: short stacking energy: -36.780
Base-Backbone interact. energy: -0.324
local terms energy: -60.410141
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -297.151005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.151005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.151005 (E_RNA)
where:
Base-Base interactions energy: -202.175
where: short stacking energy: -75.775
Base-Backbone interact. energy: -0.105
local terms energy: -94.870438
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -24.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -287.297704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.297704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.297704 (E_RNA)
where:
Base-Base interactions energy: -197.849
where: short stacking energy: -82.378
Base-Backbone interact. energy: -0.048
local terms energy: -89.400127
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.202
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: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -251.607422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.607422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.607422 (E_RNA)
where:
Base-Base interactions energy: -170.963
where: short stacking energy: -63.409
Base-Backbone interact. energy: -0.101
local terms energy: -80.543431
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -272.797252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.797252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.797252 (E_RNA)
where:
Base-Base interactions energy: -187.199
where: short stacking energy: -83.334
Base-Backbone interact. energy: -0.045
local terms energy: -85.553465
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -10.788
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: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -226.080984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.080984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.080984 (E_RNA)
where:
Base-Base interactions energy: -153.135
where: short stacking energy: -66.358
Base-Backbone interact. energy: -0.065
local terms energy: -72.880239
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -152.220690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.220690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.220690 (E_RNA)
where:
Base-Base interactions energy: -84.320
where: short stacking energy: -50.035
Base-Backbone interact. energy: -0.206
local terms energy: -67.695130
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -12.455
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: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -96.419071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.419071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.419071 (E_RNA)
where:
Base-Base interactions energy: -34.667
where: short stacking energy: -28.687
Base-Backbone interact. energy: 0.324
local terms energy: -62.076138
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -111.498520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.498520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.498520 (E_RNA)
where:
Base-Base interactions energy: -49.489
where: short stacking energy: -31.081
Base-Backbone interact. energy: -0.523
local terms energy: -61.485625
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -125.800662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.800662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.800662 (E_RNA)
where:
Base-Base interactions energy: -75.770
where: short stacking energy: -36.191
Base-Backbone interact. energy: -0.225
local terms energy: -49.805473
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -3.796
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: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -90.888256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.888256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.888256 (E_RNA)
where:
Base-Base interactions energy: -29.606
where: short stacking energy: -24.977
Base-Backbone interact. energy: -0.116
local terms energy: -61.165417
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: 0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -297.670158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.670158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.670158 (E_RNA)
where:
Base-Base interactions energy: -204.255
where: short stacking energy: -81.619
Base-Backbone interact. energy: -0.091
local terms energy: -93.323937
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -24.397
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: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -280.136544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.136544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.136544 (E_RNA)
where:
Base-Base interactions energy: -194.823
where: short stacking energy: -76.457
Base-Backbone interact. energy: -0.100
local terms energy: -85.212710
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -281.509740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.509740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.509740 (E_RNA)
where:
Base-Base interactions energy: -198.185
where: short stacking energy: -80.927
Base-Backbone interact. energy: -0.100
local terms energy: -83.223812
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -13.864
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: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -274.435406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.435406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.435406 (E_RNA)
where:
Base-Base interactions energy: -186.929
where: short stacking energy: -83.764
Base-Backbone interact. energy: -0.104
local terms energy: -87.402107
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -247.407536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.407536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.407536 (E_RNA)
where:
Base-Base interactions energy: -159.132
where: short stacking energy: -82.551
Base-Backbone interact. energy: -0.019
local terms energy: -88.256601
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -12.783
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: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -169.839605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.839605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.839605 (E_RNA)
where:
Base-Base interactions energy: -100.389
where: short stacking energy: -51.293
Base-Backbone interact. energy: -0.102
local terms energy: -69.348463
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -4.471
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -123.665801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.665801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.665801 (E_RNA)
where:
Base-Base interactions energy: -45.185
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.012
local terms energy: -78.468684
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -102.246798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.246798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.246798 (E_RNA)
where:
Base-Base interactions energy: -29.863
where: short stacking energy: -27.419
Base-Backbone interact. energy: -0.029
local terms energy: -72.354544
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -94.416085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.416085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.416085 (E_RNA)
where:
Base-Base interactions energy: -41.820
where: short stacking energy: -16.696
Base-Backbone interact. energy: -0.263
local terms energy: -52.333116
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: 1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -86.665761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.665761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.665761 (E_RNA)
where:
Base-Base interactions energy: -30.665
where: short stacking energy: -26.931
Base-Backbone interact. energy: -0.746
local terms energy: -55.254166
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: 0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -289.552969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.552969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.552969 (E_RNA)
where:
Base-Base interactions energy: -193.358
where: short stacking energy: -77.058
Base-Backbone interact. energy: -0.292
local terms energy: -95.903418
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -25.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -288.311663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.311663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.311663 (E_RNA)
where:
Base-Base interactions energy: -193.305
where: short stacking energy: -71.635
Base-Backbone interact. energy: -0.236
local terms energy: -94.770725
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -26.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -283.319828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.319828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.319828 (E_RNA)
where:
Base-Base interactions energy: -186.263
where: short stacking energy: -80.435
Base-Backbone interact. energy: -0.009
local terms energy: -97.047270
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -13.977
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: 4, replica: 6
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -278.906744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.906744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.906744 (E_RNA)
where:
Base-Base interactions energy: -191.091
where: short stacking energy: -76.563
Base-Backbone interact. energy: -0.114
local terms energy: -87.701514
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -236.499890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.499890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.499890 (E_RNA)
where:
Base-Base interactions energy: -159.315
where: short stacking energy: -68.039
Base-Backbone interact. energy: -0.109
local terms energy: -77.075923
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -159.598954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.598954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.598954 (E_RNA)
where:
Base-Base interactions energy: -86.247
where: short stacking energy: -51.282
Base-Backbone interact. energy: -0.162
local terms energy: -73.189458
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -101.613871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.613871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.613871 (E_RNA)
where:
Base-Base interactions energy: -37.485
where: short stacking energy: -37.485
Base-Backbone interact. energy: 0.318
local terms energy: -64.446349
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -99.940822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.940822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.940822 (E_RNA)
where:
Base-Base interactions energy: -53.811
where: short stacking energy: -25.689
Base-Backbone interact. energy: -0.241
local terms energy: -45.889249
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -101.280009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.280009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.280009 (E_RNA)
where:
Base-Base interactions energy: -38.030
where: short stacking energy: -38.030
Base-Backbone interact. energy: -0.208
local terms energy: -63.041484
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -81.643351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.643351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.643351 (E_RNA)
where:
Base-Base interactions energy: -30.553
where: short stacking energy: -29.328
Base-Backbone interact. energy: 0.263
local terms energy: -51.353505
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -287.242057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.242057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.242057 (E_RNA)
where:
Base-Base interactions energy: -198.949
where: short stacking energy: -80.366
Base-Backbone interact. energy: -0.115
local terms energy: -88.177881
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -286.288375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.288375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.288375 (E_RNA)
where:
Base-Base interactions energy: -192.189
where: short stacking energy: -74.223
Base-Backbone interact. energy: -0.477
local terms energy: -93.622305
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -14.371
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: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -278.257352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.257352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.257352 (E_RNA)
where:
Base-Base interactions energy: -183.518
where: short stacking energy: -91.292
Base-Backbone interact. energy: -0.010
local terms energy: -94.729022
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -23.832
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: 8
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -236.363119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.363119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.363119 (E_RNA)
where:
Base-Base interactions energy: -152.748
where: short stacking energy: -63.483
Base-Backbone interact. energy: 0.829
local terms energy: -84.443676
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -9.991
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: 5, replica: 6
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -266.690872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.690872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.690872 (E_RNA)
where:
Base-Base interactions energy: -181.680
where: short stacking energy: -76.327
Base-Backbone interact. energy: -0.062
local terms energy: -84.949226
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -117.002174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.002174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.002174 (E_RNA)
where:
Base-Base interactions energy: -49.378
where: short stacking energy: -45.869
Base-Backbone interact. energy: -0.175
local terms energy: -67.449522
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -124.495339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.495339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.495339 (E_RNA)
where:
Base-Base interactions energy: -61.432
where: short stacking energy: -46.303
Base-Backbone interact. energy: -0.037
local terms energy: -63.026200
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -8.247
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: 21
Temperature: 1.250000
Total energy: -107.864765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.864765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.864765 (E_RNA)
where:
Base-Base interactions energy: -56.581
where: short stacking energy: -28.218
Base-Backbone interact. energy: -0.302
local terms energy: -50.982165
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -2.616
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -99.322530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.322530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.322530 (E_RNA)
where:
Base-Base interactions energy: -39.613
where: short stacking energy: -25.333
Base-Backbone interact. energy: -1.148
local terms energy: -58.562072
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -88.679849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.679849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.679849 (E_RNA)
where:
Base-Base interactions energy: -25.536
where: short stacking energy: -18.165
Base-Backbone interact. energy: -1.248
local terms energy: -61.895472
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -5.719
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: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -290.930074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.930074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.930074 (E_RNA)
where:
Base-Base interactions energy: -199.581
where: short stacking energy: -70.752
Base-Backbone interact. energy: -0.283
local terms energy: -91.065696
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -9.725
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: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -285.411505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.411505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.411505 (E_RNA)
where:
Base-Base interactions energy: -199.407
where: short stacking energy: -79.253
Base-Backbone interact. energy: 0.297
local terms energy: -86.301388
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -12.403
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: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -273.681995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.681995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.681995 (E_RNA)
where:
Base-Base interactions energy: -190.148
where: short stacking energy: -81.703
Base-Backbone interact. energy: -0.025
local terms energy: -83.508474
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -24.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -231.472281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.472281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.472281 (E_RNA)
where:
Base-Base interactions energy: -157.074
where: short stacking energy: -59.420
Base-Backbone interact. energy: -0.673
local terms energy: -73.725787
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -15.583
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: 6
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -274.318674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.318674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.318674 (E_RNA)
where:
Base-Base interactions energy: -186.146
where: short stacking energy: -79.505
Base-Backbone interact. energy: -0.898
local terms energy: -87.274605
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -115.623018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.623018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.623018 (E_RNA)
where:
Base-Base interactions energy: -48.538
where: short stacking energy: -37.114
Base-Backbone interact. energy: -0.906
local terms energy: -66.179128
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -163.085433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.085433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.085433 (E_RNA)
where:
Base-Base interactions energy: -85.370
where: short stacking energy: -41.916
Base-Backbone interact. energy: -0.519
local terms energy: -77.196111
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -6.650
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: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -99.970889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.970889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.970889 (E_RNA)
where:
Base-Base interactions energy: -36.780
where: short stacking energy: -29.503
Base-Backbone interact. energy: -0.259
local terms energy: -62.931712
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -89.199778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.199778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.199778 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -29.071
Base-Backbone interact. energy: -0.199
local terms energy: -57.746780
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -8.164
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -86.159147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.159147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.159147 (E_RNA)
where:
Base-Base interactions energy: -27.553
where: short stacking energy: -27.553
Base-Backbone interact. energy: -0.071
local terms energy: -58.536056
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -288.519148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.519148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.519148 (E_RNA)
where:
Base-Base interactions energy: -196.188
where: short stacking energy: -78.847
Base-Backbone interact. energy: -0.097
local terms energy: -92.233483
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -25.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -285.572206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.572206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.572206 (E_RNA)
where:
Base-Base interactions energy: -201.551
where: short stacking energy: -78.459
Base-Backbone interact. energy: -0.101
local terms energy: -83.920389
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -281.890123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.890123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.890123 (E_RNA)
where:
Base-Base interactions energy: -197.983
where: short stacking energy: -81.447
Base-Backbone interact. energy: -0.002
local terms energy: -83.905074
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -13.710
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: 6
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -254.977288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.977288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.977288 (E_RNA)
where:
Base-Base interactions energy: -176.208
where: short stacking energy: -71.844
Base-Backbone interact. energy: 1.083
local terms energy: -79.851864
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -16.749
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: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -225.232991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.232991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.232991 (E_RNA)
where:
Base-Base interactions energy: -148.914
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.199
local terms energy: -76.119151
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -9.093
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: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -168.415302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.415302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.415302 (E_RNA)
where:
Base-Base interactions energy: -91.510
where: short stacking energy: -39.134
Base-Backbone interact. energy: -0.504
local terms energy: -76.401549
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -11.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -118.102924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.102924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.102924 (E_RNA)
where:
Base-Base interactions energy: -63.876
where: short stacking energy: -36.083
Base-Backbone interact. energy: 1.497
local terms energy: -55.724415
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -108.788166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.788166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.788166 (E_RNA)
where:
Base-Base interactions energy: -54.230
where: short stacking energy: -41.471
Base-Backbone interact. energy: -0.008
local terms energy: -54.550599
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -2.606
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -110.522285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.522285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.522285 (E_RNA)
where:
Base-Base interactions energy: -40.502
where: short stacking energy: -40.502
Base-Backbone interact. energy: -0.239
local terms energy: -69.781631
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -86.819432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.819432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.819432 (E_RNA)
where:
Base-Base interactions energy: -22.818
where: short stacking energy: -22.079
Base-Backbone interact. energy: -0.268
local terms energy: -63.733092
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: 3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -289.984772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.984772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.984772 (E_RNA)
where:
Base-Base interactions energy: -197.652
where: short stacking energy: -83.425
Base-Backbone interact. energy: -0.452
local terms energy: -91.880833
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -23.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -283.875499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.875499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.875499 (E_RNA)
where:
Base-Base interactions energy: -195.728
where: short stacking energy: -77.649
Base-Backbone interact. energy: -0.042
local terms energy: -88.105261
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -24.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -267.513744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.513744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.513744 (E_RNA)
where:
Base-Base interactions energy: -181.487
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.108
local terms energy: -85.918532
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -265.928725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.928725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.928725 (E_RNA)
where:
Base-Base interactions energy: -188.371
where: short stacking energy: -78.238
Base-Backbone interact. energy: -0.120
local terms energy: -77.437683
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -11.278
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: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -208.665132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.665132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.665132 (E_RNA)
where:
Base-Base interactions energy: -127.920
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.307
local terms energy: -80.438191
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -20.351
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: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -210.629225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.629225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.629225 (E_RNA)
where:
Base-Base interactions energy: -130.020
where: short stacking energy: -57.345
Base-Backbone interact. energy: -1.213
local terms energy: -79.396086
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -106.337936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.337936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.337936 (E_RNA)
where:
Base-Base interactions energy: -52.050
where: short stacking energy: -33.075
Base-Backbone interact. energy: -0.262
local terms energy: -54.025822
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -12.766
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: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -97.862247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.862247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.862247 (E_RNA)
where:
Base-Base interactions energy: -39.833
where: short stacking energy: -30.957
Base-Backbone interact. energy: 0.353
local terms energy: -58.382098
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -3.564
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -102.616832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.616832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.616832 (E_RNA)
where:
Base-Base interactions energy: -55.086
where: short stacking energy: -35.708
Base-Backbone interact. energy: -0.333
local terms energy: -47.197825
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -6.305
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: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -93.795500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.795500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.795500 (E_RNA)
where:
Base-Base interactions energy: -30.322
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.186
local terms energy: -63.287459
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -292.827561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.827561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.827561 (E_RNA)
where:
Base-Base interactions energy: -203.632
where: short stacking energy: -79.808
Base-Backbone interact. energy: -0.104
local terms energy: -89.092308
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -286.139747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.139747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.139747 (E_RNA)
where:
Base-Base interactions energy: -200.866
where: short stacking energy: -77.230
Base-Backbone interact. energy: -0.715
local terms energy: -84.558495
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -21.571
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -22.552
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: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -264.993908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.993908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.993908 (E_RNA)
where:
Base-Base interactions energy: -173.710
where: short stacking energy: -79.413
Base-Backbone interact. energy: -0.866
local terms energy: -90.417902
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -14.906
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: 25
Temperature: 1.050000
Total energy: -262.823545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.823545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.823545 (E_RNA)
where:
Base-Base interactions energy: -176.517
where: short stacking energy: -80.300
Base-Backbone interact. energy: -0.017
local terms energy: -86.289798
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -24.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -220.592593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.592593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.592593 (E_RNA)
where:
Base-Base interactions energy: -146.987
where: short stacking energy: -65.772
Base-Backbone interact. energy: 5.842
local terms energy: -79.448046
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -219.047724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.047724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.047724 (E_RNA)
where:
Base-Base interactions energy: -143.863
where: short stacking energy: -68.666
Base-Backbone interact. energy: -0.092
local terms energy: -75.092980
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -95.069143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.069143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.069143 (E_RNA)
where:
Base-Base interactions energy: -38.623
where: short stacking energy: -37.683
Base-Backbone interact. energy: 2.935
local terms energy: -59.381311
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -113.130192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.130192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.130192 (E_RNA)
where:
Base-Base interactions energy: -62.725
where: short stacking energy: -27.064
Base-Backbone interact. energy: 1.613
local terms energy: -52.017933
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: 6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -93.784290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.784290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.784290 (E_RNA)
where:
Base-Base interactions energy: -35.250
where: short stacking energy: -28.382
Base-Backbone interact. energy: -0.622
local terms energy: -57.912047
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -87.404617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.404617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.404617 (E_RNA)
where:
Base-Base interactions energy: -33.916
where: short stacking energy: -26.361
Base-Backbone interact. energy: -0.529
local terms energy: -52.960144
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -289.366891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.366891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.366891 (E_RNA)
where:
Base-Base interactions energy: -196.998
where: short stacking energy: -74.217
Base-Backbone interact. energy: -0.266
local terms energy: -92.103253
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -24.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -287.660931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.660931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.660931 (E_RNA)
where:
Base-Base interactions energy: -192.145
where: short stacking energy: -70.402
Base-Backbone interact. energy: -0.380
local terms energy: -95.135613
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -22.759
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: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -291.801351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.801351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.801351 (E_RNA)
where:
Base-Base interactions energy: -198.783
where: short stacking energy: -85.403
Base-Backbone interact. energy: -0.102
local terms energy: -92.917077
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -27.092
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: 4, replica: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -251.158441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.158441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.158441 (E_RNA)
where:
Base-Base interactions energy: -166.050
where: short stacking energy: -79.651
Base-Backbone interact. energy: -0.000
local terms energy: -85.107809
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.978
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: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -229.452410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.452410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.452410 (E_RNA)
where:
Base-Base interactions energy: -142.794
where: short stacking energy: -65.684
Base-Backbone interact. energy: -0.003
local terms energy: -86.655149
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -224.622840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.622840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.622840 (E_RNA)
where:
Base-Base interactions energy: -143.528
where: short stacking energy: -66.450
Base-Backbone interact. energy: -0.269
local terms energy: -80.825075
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -156.165381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.165381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.165381 (E_RNA)
where:
Base-Base interactions energy: -94.400
where: short stacking energy: -37.761
Base-Backbone interact. energy: -0.252
local terms energy: -61.513975
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -7.345
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -10.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -91.021377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.021377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.021377 (E_RNA)
where:
Base-Base interactions energy: -33.169
where: short stacking energy: -33.169
Base-Backbone interact. energy: 1.533
local terms energy: -59.385048
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: 0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -92.032726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.032726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.032726 (E_RNA)
where:
Base-Base interactions energy: -34.517
where: short stacking energy: -32.452
Base-Backbone interact. energy: -0.109
local terms energy: -57.407205
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -1.352
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: 10, replica: 3
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -94.282383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.282383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.282383 (E_RNA)
where:
Base-Base interactions energy: -29.892
where: short stacking energy: -28.668
Base-Backbone interact. energy: -0.424
local terms energy: -63.966620
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -296.163090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.163090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.163090 (E_RNA)
where:
Base-Base interactions energy: -208.406
where: short stacking energy: -79.440
Base-Backbone interact. energy: -0.101
local terms energy: -87.655708
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -9.636
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: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -291.706530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.706530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.706530 (E_RNA)
where:
Base-Base interactions energy: -194.546
where: short stacking energy: -83.991
Base-Backbone interact. energy: -0.100
local terms energy: -97.060592
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -26.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -288.145301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.145301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.145301 (E_RNA)
where:
Base-Base interactions energy: -190.022
where: short stacking energy: -77.736
Base-Backbone interact. energy: -0.280
local terms energy: -97.843717
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -24.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -240.241836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.241836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.241836 (E_RNA)
where:
Base-Base interactions energy: -158.494
where: short stacking energy: -72.742
Base-Backbone interact. energy: -0.057
local terms energy: -81.690770
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -20.752
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: 5, replica: 8
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -213.986389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.986389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.986389 (E_RNA)
where:
Base-Base interactions energy: -135.056
where: short stacking energy: -47.623
Base-Backbone interact. energy: -1.703
local terms energy: -77.227805
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -226.972308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.972308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.972308 (E_RNA)
where:
Base-Base interactions energy: -150.656
where: short stacking energy: -72.384
Base-Backbone interact. energy: 1.981
local terms energy: -78.297835
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -22.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -140.708508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.708508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.708508 (E_RNA)
where:
Base-Base interactions energy: -75.196
where: short stacking energy: -39.826
Base-Backbone interact. energy: -0.062
local terms energy: -65.450923
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -97.237180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.237180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.237180 (E_RNA)
where:
Base-Base interactions energy: -32.384
where: short stacking energy: -27.932
Base-Backbone interact. energy: 0.512
local terms energy: -65.365428
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -86.978835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.978835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.978835 (E_RNA)
where:
Base-Base interactions energy: -27.921
where: short stacking energy: -27.921
Base-Backbone interact. energy: 0.088
local terms energy: -59.146586
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -6.276
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: 3
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -87.449100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.449100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.449100 (E_RNA)
where:
Base-Base interactions energy: -34.718
where: short stacking energy: -23.953
Base-Backbone interact. energy: -0.073
local terms energy: -52.658246
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -8.293
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: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -290.267409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.267409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.267409 (E_RNA)
where:
Base-Base interactions energy: -197.561
where: short stacking energy: -76.978
Base-Backbone interact. energy: -0.753
local terms energy: -91.953913
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -13.553
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: 2, replica: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -280.447344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.447344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.447344 (E_RNA)
where:
Base-Base interactions energy: -189.558
where: short stacking energy: -80.610
Base-Backbone interact. energy: -0.022
local terms energy: -90.867638
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -283.580712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.580712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.580712 (E_RNA)
where:
Base-Base interactions energy: -195.284
where: short stacking energy: -71.048
Base-Backbone interact. energy: -0.380
local terms energy: -87.916482
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -23.293
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: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -268.832580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.832580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.832580 (E_RNA)
where:
Base-Base interactions energy: -190.676
where: short stacking energy: -84.293
Base-Backbone interact. energy: 0.237
local terms energy: -78.393628
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -23.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -220.710718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.710718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.710718 (E_RNA)
where:
Base-Base interactions energy: -138.693
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.222
local terms energy: -81.796171
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -211.579807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.579807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.579807 (E_RNA)
where:
Base-Base interactions energy: -131.900
where: short stacking energy: -49.926
Base-Backbone interact. energy: -0.176
local terms energy: -79.503919
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -139.388665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.388665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.388665 (E_RNA)
where:
Base-Base interactions energy: -69.252
where: short stacking energy: -45.545
Base-Backbone interact. energy: -0.112
local terms energy: -70.024369
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -100.319682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.319682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.319682 (E_RNA)
where:
Base-Base interactions energy: -40.356
where: short stacking energy: -40.356
Base-Backbone interact. energy: -0.065
local terms energy: -59.898250
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -88.159114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.159114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.159114 (E_RNA)
where:
Base-Base interactions energy: -29.780
where: short stacking energy: -23.693
Base-Backbone interact. energy: -0.217
local terms energy: -58.161947
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -84.090142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.090142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.090142 (E_RNA)
where:
Base-Base interactions energy: -28.064
where: short stacking energy: -21.855
Base-Backbone interact. energy: -0.675
local terms energy: -55.350993
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -10.859
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: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -293.090935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.090935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.090935 (E_RNA)
where:
Base-Base interactions energy: -207.207
where: short stacking energy: -73.715
Base-Backbone interact. energy: 0.274
local terms energy: -86.157840
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -23.157
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: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -287.550257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.550257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.550257 (E_RNA)
where:
Base-Base interactions energy: -198.032
where: short stacking energy: -76.268
Base-Backbone interact. energy: 0.095
local terms energy: -89.613709
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -23.150
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: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -293.855331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.855331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.855331 (E_RNA)
where:
Base-Base interactions energy: -199.477
where: short stacking energy: -90.583
Base-Backbone interact. energy: -0.184
local terms energy: -94.194151
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -24.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -268.440718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.440718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.440718 (E_RNA)
where:
Base-Base interactions energy: -179.601
where: short stacking energy: -78.434
Base-Backbone interact. energy: -0.811
local terms energy: -88.028568
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -10.607
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -231.857310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.857310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.857310 (E_RNA)
where:
Base-Base interactions energy: -148.333
where: short stacking energy: -72.403
Base-Backbone interact. energy: -0.612
local terms energy: -82.912443
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -124.008970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.008970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.008970 (E_RNA)
where:
Base-Base interactions energy: -53.754
where: short stacking energy: -40.948
Base-Backbone interact. energy: 0.262
local terms energy: -70.516709
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -8.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -205.299456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.299456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.299456 (E_RNA)
where:
Base-Base interactions energy: -127.963
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.153
local terms energy: -77.183502
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -111.202638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.202638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.202638 (E_RNA)
where:
Base-Base interactions energy: -40.147
where: short stacking energy: -40.147
Base-Backbone interact. energy: -0.033
local terms energy: -71.022526
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -9.937
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: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -91.210412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.210412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.210412 (E_RNA)
where:
Base-Base interactions energy: -27.260
where: short stacking energy: -25.523
Base-Backbone interact. energy: -1.188
local terms energy: -62.761828
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -81.341286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.341286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.341286 (E_RNA)
where:
Base-Base interactions energy: -29.357
where: short stacking energy: -29.357
Base-Backbone interact. energy: 0.449
local terms energy: -52.433856
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -2.271
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: 30
Temperature: 0.900000
Total energy: -288.152423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.152423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.152423 (E_RNA)
where:
Base-Base interactions energy: -203.983
where: short stacking energy: -69.698
Base-Backbone interact. energy: 1.162
local terms energy: -85.330909
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -284.889324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.889324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.889324 (E_RNA)
where:
Base-Base interactions energy: -192.470
where: short stacking energy: -68.922
Base-Backbone interact. energy: -0.550
local terms energy: -91.868776
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -281.188109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.188109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.188109 (E_RNA)
where:
Base-Base interactions energy: -187.315
where: short stacking energy: -85.855
Base-Backbone interact. energy: -0.000
local terms energy: -93.872523
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -29.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -268.378560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.378560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.378560 (E_RNA)
where:
Base-Base interactions energy: -175.683
where: short stacking energy: -78.517
Base-Backbone interact. energy: 1.561
local terms energy: -94.256692
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -218.134207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.134207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.134207 (E_RNA)
where:
Base-Base interactions energy: -136.265
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.112
local terms energy: -81.756760
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -7.617
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: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -123.712202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.712202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.712202 (E_RNA)
where:
Base-Base interactions energy: -55.807
where: short stacking energy: -42.595
Base-Backbone interact. energy: -0.423
local terms energy: -67.482243
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -3.811
tors. eta vs tors. theta energy: -10.790
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: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -227.467573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.467573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.467573 (E_RNA)
where:
Base-Base interactions energy: -161.610
where: short stacking energy: -56.706
Base-Backbone interact. energy: -0.178
local terms energy: -65.679405
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -10.482
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: 30
Temperature: 1.250000
Total energy: -103.366127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.366127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.366127 (E_RNA)
where:
Base-Base interactions energy: -32.932
where: short stacking energy: -27.849
Base-Backbone interact. energy: -0.171
local terms energy: -70.263252
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: 1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -96.326311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.326311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.326311 (E_RNA)
where:
Base-Base interactions energy: -49.836
where: short stacking energy: -26.289
Base-Backbone interact. energy: -0.304
local terms energy: -46.185663
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -92.042197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.042197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.042197 (E_RNA)
where:
Base-Base interactions energy: -34.618
where: short stacking energy: -22.743
Base-Backbone interact. energy: -0.068
local terms energy: -57.355832
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: 0.057
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: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -286.154918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.154918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.154918 (E_RNA)
where:
Base-Base interactions energy: -198.409
where: short stacking energy: -76.088
Base-Backbone interact. energy: -0.670
local terms energy: -87.076124
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -24.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -296.604385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.604385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.604385 (E_RNA)
where:
Base-Base interactions energy: -200.891
where: short stacking energy: -87.934
Base-Backbone interact. energy: -0.002
local terms energy: -95.711261
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -27.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -277.854691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.854691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.854691 (E_RNA)
where:
Base-Base interactions energy: -186.885
where: short stacking energy: -71.466
Base-Backbone interact. energy: -0.094
local terms energy: -90.875433
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -25.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -271.638467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.638467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.638467 (E_RNA)
where:
Base-Base interactions energy: -184.231
where: short stacking energy: -83.673
Base-Backbone interact. energy: 0.300
local terms energy: -87.708030
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -23.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -226.800348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.800348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.800348 (E_RNA)
where:
Base-Base interactions energy: -155.348
where: short stacking energy: -65.039
Base-Backbone interact. energy: -0.170
local terms energy: -71.282575
where:
bonds (distance) C4'-P energy: -6.741
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -188.866784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.866784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.866784 (E_RNA)
where:
Base-Base interactions energy: -112.706
where: short stacking energy: -59.583
Base-Backbone interact. energy: -0.256
local terms energy: -75.904563
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -144.970578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.970578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.970578 (E_RNA)
where:
Base-Base interactions energy: -82.705
where: short stacking energy: -44.736
Base-Backbone interact. energy: -0.106
local terms energy: -62.159656
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -6.197
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: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -93.760617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.760617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.760617 (E_RNA)
where:
Base-Base interactions energy: -38.594
where: short stacking energy: -29.935
Base-Backbone interact. energy: 1.568
local terms energy: -56.734278
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -87.929558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.929558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.929558 (E_RNA)
where:
Base-Base interactions energy: -29.001
where: short stacking energy: -18.365
Base-Backbone interact. energy: -0.445
local terms energy: -58.483708
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: 5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -94.280791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.280791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.280791 (E_RNA)
where:
Base-Base interactions energy: -36.553
where: short stacking energy: -26.727
Base-Backbone interact. energy: -0.397
local terms energy: -57.330430
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -9.489
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: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -293.318486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.318486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.318486 (E_RNA)
where:
Base-Base interactions energy: -205.637
where: short stacking energy: -77.938
Base-Backbone interact. energy: -0.145
local terms energy: -87.536818
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -282.766675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.766675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.766675 (E_RNA)
where:
Base-Base interactions energy: -180.057
where: short stacking energy: -85.640
Base-Backbone interact. energy: -0.119
local terms energy: -102.590969
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -26.552
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: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -292.798021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.798021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.798021 (E_RNA)
where:
Base-Base interactions energy: -194.629
where: short stacking energy: -91.000
Base-Backbone interact. energy: 0.753
local terms energy: -98.922220
where:
bonds (distance) C4'-P energy: -20.075
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -282.769309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.769309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.769309 (E_RNA)
where:
Base-Base interactions energy: -191.525
where: short stacking energy: -73.991
Base-Backbone interact. energy: -0.201
local terms energy: -91.042923
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -23.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -229.390505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.390505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.390505 (E_RNA)
where:
Base-Base interactions energy: -152.855
where: short stacking energy: -69.394
Base-Backbone interact. energy: -0.283
local terms energy: -76.252373
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -218.532131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.532131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.532131 (E_RNA)
where:
Base-Base interactions energy: -140.981
where: short stacking energy: -63.259
Base-Backbone interact. energy: -0.221
local terms energy: -77.330092
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -152.519561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.519561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.519561 (E_RNA)
where:
Base-Base interactions energy: -91.776
where: short stacking energy: -50.091
Base-Backbone interact. energy: -0.074
local terms energy: -60.669748
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -104.132207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.132207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.132207 (E_RNA)
where:
Base-Base interactions energy: -45.670
where: short stacking energy: -32.900
Base-Backbone interact. energy: 1.713
local terms energy: -60.174467
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -106.920935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.920935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.920935 (E_RNA)
where:
Base-Base interactions energy: -40.167
where: short stacking energy: -32.472
Base-Backbone interact. energy: -0.079
local terms energy: -66.675423
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -89.562019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.562019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.562019 (E_RNA)
where:
Base-Base interactions energy: -43.280
where: short stacking energy: -38.236
Base-Backbone interact. energy: -0.007
local terms energy: -46.274807
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: 1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -292.592867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.592867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.592867 (E_RNA)
where:
Base-Base interactions energy: -205.477
where: short stacking energy: -82.662
Base-Backbone interact. energy: -0.516
local terms energy: -86.600592
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -26.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -292.991640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.991640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.991640 (E_RNA)
where:
Base-Base interactions energy: -192.998
where: short stacking energy: -85.351
Base-Backbone interact. energy: -0.104
local terms energy: -99.889909
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -14.710
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: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -289.063649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.063649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.063649 (E_RNA)
where:
Base-Base interactions energy: -198.573
where: short stacking energy: -76.139
Base-Backbone interact. energy: -0.101
local terms energy: -90.389469
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -24.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -267.705323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.705323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.705323 (E_RNA)
where:
Base-Base interactions energy: -187.731
where: short stacking energy: -75.641
Base-Backbone interact. energy: -0.016
local terms energy: -79.957790
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -7.970
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: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -226.982455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.982455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.982455 (E_RNA)
where:
Base-Base interactions energy: -152.854
where: short stacking energy: -73.327
Base-Backbone interact. energy: -0.451
local terms energy: -73.677834
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -21.504
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: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -223.298435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.298435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.298435 (E_RNA)
where:
Base-Base interactions energy: -146.062
where: short stacking energy: -64.094
Base-Backbone interact. energy: 0.305
local terms energy: -77.541526
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -18.048
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: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -157.614839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.614839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.614839 (E_RNA)
where:
Base-Base interactions energy: -96.368
where: short stacking energy: -50.057
Base-Backbone interact. energy: 1.763
local terms energy: -63.010265
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -4.689
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -13.479
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: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -95.578388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.578388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.578388 (E_RNA)
where:
Base-Base interactions energy: -28.310
where: short stacking energy: -26.074
Base-Backbone interact. energy: -0.112
local terms energy: -67.156440
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -88.374844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.374844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.374844 (E_RNA)
where:
Base-Base interactions energy: -31.500
where: short stacking energy: -31.500
Base-Backbone interact. energy: -0.152
local terms energy: -56.722824
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -1.403
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: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -101.323597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.323597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.323597 (E_RNA)
where:
Base-Base interactions energy: -41.936
where: short stacking energy: -20.130
Base-Backbone interact. energy: -0.092
local terms energy: -59.295961
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -288.775762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.775762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.775762 (E_RNA)
where:
Base-Base interactions energy: -196.125
where: short stacking energy: -82.712
Base-Backbone interact. energy: -0.282
local terms energy: -92.369172
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -23.965
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: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -284.556526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.556526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.556526 (E_RNA)
where:
Base-Base interactions energy: -191.642
where: short stacking energy: -74.975
Base-Backbone interact. energy: -0.202
local terms energy: -92.712166
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -25.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -282.958887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.958887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.958887 (E_RNA)
where:
Base-Base interactions energy: -186.795
where: short stacking energy: -82.305
Base-Backbone interact. energy: -0.045
local terms energy: -96.119692
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -14.510
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: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -274.290938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.290938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.290938 (E_RNA)
where:
Base-Base interactions energy: -194.165
where: short stacking energy: -76.709
Base-Backbone interact. energy: 0.489
local terms energy: -80.614464
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -11.008
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: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -233.706036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.706036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.706036 (E_RNA)
where:
Base-Base interactions energy: -154.339
where: short stacking energy: -75.206
Base-Backbone interact. energy: -0.007
local terms energy: -79.360005
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -24.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -218.399473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.399473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.399473 (E_RNA)
where:
Base-Base interactions energy: -135.343
where: short stacking energy: -67.408
Base-Backbone interact. energy: -0.273
local terms energy: -82.782895
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -13.976
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: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -110.867711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.867711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.867711 (E_RNA)
where:
Base-Base interactions energy: -40.038
where: short stacking energy: -24.557
Base-Backbone interact. energy: -0.779
local terms energy: -70.051040
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -129.085712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.085712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.085712 (E_RNA)
where:
Base-Base interactions energy: -65.502
where: short stacking energy: -46.056
Base-Backbone interact. energy: -0.231
local terms energy: -63.352574
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -7.311
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: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -157.439833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.439833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.439833 (E_RNA)
where:
Base-Base interactions energy: -102.039
where: short stacking energy: -44.214
Base-Backbone interact. energy: -0.180
local terms energy: -55.220170
where:
bonds (distance) C4'-P energy: -7.817
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -91.882022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.882022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.882022 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -37.848
Base-Backbone interact. energy: -0.152
local terms energy: -53.881546
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -291.490854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.490854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.490854 (E_RNA)
where:
Base-Base interactions energy: -214.574
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.033
local terms energy: -76.884564
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -17.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -288.631301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.631301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.631301 (E_RNA)
where:
Base-Base interactions energy: -185.942
where: short stacking energy: -90.559
Base-Backbone interact. energy: -1.317
local terms energy: -101.371527
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -29.413
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: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -274.902783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.902783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.902783 (E_RNA)
where:
Base-Base interactions energy: -185.945
where: short stacking energy: -70.266
Base-Backbone interact. energy: -0.598
local terms energy: -88.359023
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -271.176489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.176489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.176489 (E_RNA)
where:
Base-Base interactions energy: -185.537
where: short stacking energy: -73.146
Base-Backbone interact. energy: -0.248
local terms energy: -85.391386
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -20.558
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: 5, replica: 8
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -210.589469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.589469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.589469 (E_RNA)
where:
Base-Base interactions energy: -132.758
where: short stacking energy: -61.911
Base-Backbone interact. energy: 0.156
local terms energy: -77.987507
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -230.394970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.394970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.394970 (E_RNA)
where:
Base-Base interactions energy: -145.319
where: short stacking energy: -69.435
Base-Backbone interact. energy: 0.232
local terms energy: -85.307546
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -22.700
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: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -101.578847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.578847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.578847 (E_RNA)
where:
Base-Base interactions energy: -47.982
where: short stacking energy: -32.581
Base-Backbone interact. energy: 0.516
local terms energy: -54.112601
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: 3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -194.557792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.557792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.557792 (E_RNA)
where:
Base-Base interactions energy: -119.853
where: short stacking energy: -49.089
Base-Backbone interact. energy: -0.534
local terms energy: -74.170774
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -17.727
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: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -115.719360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.719360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.719360 (E_RNA)
where:
Base-Base interactions energy: -52.106
where: short stacking energy: -30.315
Base-Backbone interact. energy: -0.920
local terms energy: -62.693321
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -5.190
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: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -100.789533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.789533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.789533 (E_RNA)
where:
Base-Base interactions energy: -35.319
where: short stacking energy: -22.488
Base-Backbone interact. energy: -0.367
local terms energy: -65.103139
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -295.058822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.058822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.058822 (E_RNA)
where:
Base-Base interactions energy: -199.524
where: short stacking energy: -82.368
Base-Backbone interact. energy: -0.646
local terms energy: -94.889379
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -23.169
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: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -291.204514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.204514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.204514 (E_RNA)
where:
Base-Base interactions energy: -194.562
where: short stacking energy: -91.329
Base-Backbone interact. energy: -0.004
local terms energy: -96.638666
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -29.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -278.638640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.638640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.638640 (E_RNA)
where:
Base-Base interactions energy: -190.547
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.197
local terms energy: -87.895188
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -24.119
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: 36
Temperature: 1.050000
Total energy: -268.218239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.218239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.218239 (E_RNA)
where:
Base-Base interactions energy: -188.344
where: short stacking energy: -69.122
Base-Backbone interact. energy: 0.580
local terms energy: -80.453747
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -222.127327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.127327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.127327 (E_RNA)
where:
Base-Base interactions energy: -138.955
where: short stacking energy: -59.606
Base-Backbone interact. energy: 0.041
local terms energy: -83.213156
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -216.331703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.331703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.331703 (E_RNA)
where:
Base-Base interactions energy: -142.337
where: short stacking energy: -67.023
Base-Backbone interact. energy: -0.105
local terms energy: -73.889124
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -9.197
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -199.635753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.635753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.635753 (E_RNA)
where:
Base-Base interactions energy: -123.659
where: short stacking energy: -55.783
Base-Backbone interact. energy: -0.107
local terms energy: -75.869719
where:
bonds (distance) C4'-P energy: -17.118
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -106.262971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.262971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.262971 (E_RNA)
where:
Base-Base interactions energy: -43.828
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.193
local terms energy: -62.241323
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -8.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -101.730387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.730387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.730387 (E_RNA)
where:
Base-Base interactions energy: -39.463
where: short stacking energy: -36.395
Base-Backbone interact. energy: -0.075
local terms energy: -62.193100
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -89.589636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.589636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.589636 (E_RNA)
where:
Base-Base interactions energy: -31.786
where: short stacking energy: -31.786
Base-Backbone interact. energy: -0.136
local terms energy: -57.667250
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -6.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -291.985506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.985506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.985506 (E_RNA)
where:
Base-Base interactions energy: -199.464
where: short stacking energy: -93.159
Base-Backbone interact. energy: -0.004
local terms energy: -92.517489
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -25.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -287.493959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.493959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.493959 (E_RNA)
where:
Base-Base interactions energy: -195.808
where: short stacking energy: -90.234
Base-Backbone interact. energy: 0.878
local terms energy: -92.563226
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -27.080
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: 37
Temperature: 1.000000
Total energy: -273.769948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.769948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.769948 (E_RNA)
where:
Base-Base interactions energy: -192.422
where: short stacking energy: -71.067
Base-Backbone interact. energy: -0.570
local terms energy: -80.778189
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -267.159608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.159608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.159608 (E_RNA)
where:
Base-Base interactions energy: -185.300
where: short stacking energy: -63.422
Base-Backbone interact. energy: -0.419
local terms energy: -81.440522
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.757
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: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -220.154644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.154644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.154644 (E_RNA)
where:
Base-Base interactions energy: -141.158
where: short stacking energy: -57.709
Base-Backbone interact. energy: -0.137
local terms energy: -78.859227
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -15.254
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: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -239.090261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.090261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.090261 (E_RNA)
where:
Base-Base interactions energy: -155.635
where: short stacking energy: -65.848
Base-Backbone interact. energy: -0.188
local terms energy: -83.268070
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -215.380886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.380886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.380886 (E_RNA)
where:
Base-Base interactions energy: -145.098
where: short stacking energy: -63.662
Base-Backbone interact. energy: 0.144
local terms energy: -70.426119
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -97.734937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.734937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.734937 (E_RNA)
where:
Base-Base interactions energy: -32.028
where: short stacking energy: -32.028
Base-Backbone interact. energy: -0.487
local terms energy: -65.219570
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -91.443700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.443700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.443700 (E_RNA)
where:
Base-Base interactions energy: -28.168
where: short stacking energy: -28.168
Base-Backbone interact. energy: -0.286
local terms energy: -62.990315
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -87.716622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.716622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.716622 (E_RNA)
where:
Base-Base interactions energy: -32.224
where: short stacking energy: -19.353
Base-Backbone interact. energy: -0.422
local terms energy: -55.069885
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -1.349
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: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -303.356153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.356153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.356153 (E_RNA)
where:
Base-Base interactions energy: -209.260
where: short stacking energy: -93.509
Base-Backbone interact. energy: -0.313
local terms energy: -93.782934
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -25.452
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: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -282.474684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.474684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.474684 (E_RNA)
where:
Base-Base interactions energy: -185.919
where: short stacking energy: -85.010
Base-Backbone interact. energy: -0.341
local terms energy: -96.215357
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -30.820
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: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -269.928545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.928545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.928545 (E_RNA)
where:
Base-Base interactions energy: -184.914
where: short stacking energy: -74.678
Base-Backbone interact. energy: -0.164
local terms energy: -84.850566
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -279.468994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.468994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.468994 (E_RNA)
where:
Base-Base interactions energy: -198.461
where: short stacking energy: -73.390
Base-Backbone interact. energy: -0.163
local terms energy: -80.845002
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -253.048025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.048025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.048025 (E_RNA)
where:
Base-Base interactions energy: -174.565
where: short stacking energy: -68.363
Base-Backbone interact. energy: -0.102
local terms energy: -78.380859
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -24.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -206.449092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.449092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.449092 (E_RNA)
where:
Base-Base interactions energy: -136.681
where: short stacking energy: -63.268
Base-Backbone interact. energy: 1.466
local terms energy: -71.233993
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -202.679246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.679246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.679246 (E_RNA)
where:
Base-Base interactions energy: -130.914
where: short stacking energy: -63.317
Base-Backbone interact. energy: -0.922
local terms energy: -70.843717
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -106.976978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.976978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.976978 (E_RNA)
where:
Base-Base interactions energy: -40.017
where: short stacking energy: -40.017
Base-Backbone interact. energy: -0.072
local terms energy: -66.887919
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -99.542377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.542377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.542377 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -34.180
Base-Backbone interact. energy: -0.094
local terms energy: -65.268554
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -8.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -91.230817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.230817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.230817 (E_RNA)
where:
Base-Base interactions energy: -34.855
where: short stacking energy: -21.684
Base-Backbone interact. energy: -1.480
local terms energy: -54.895861
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -290.433898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.433898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.433898 (E_RNA)
where:
Base-Base interactions energy: -191.834
where: short stacking energy: -86.799
Base-Backbone interact. energy: -0.068
local terms energy: -98.532481
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -15.939
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: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -280.412607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.412607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.412607 (E_RNA)
where:
Base-Base interactions energy: -197.371
where: short stacking energy: -77.758
Base-Backbone interact. energy: -0.286
local terms energy: -82.756039
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -0.831
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -272.643928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.643928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.643928 (E_RNA)
where:
Base-Base interactions energy: -181.318
where: short stacking energy: -74.101
Base-Backbone interact. energy: -0.037
local terms energy: -91.288736
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -259.481392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.481392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.481392 (E_RNA)
where:
Base-Base interactions energy: -175.590
where: short stacking energy: -66.175
Base-Backbone interact. energy: -0.064
local terms energy: -83.827717
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -16.475
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: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -263.549043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.549043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.549043 (E_RNA)
where:
Base-Base interactions energy: -174.459
where: short stacking energy: -64.712
Base-Backbone interact. energy: -0.237
local terms energy: -88.853184
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -185.056010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.056010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.056010 (E_RNA)
where:
Base-Base interactions energy: -119.640
where: short stacking energy: -55.312
Base-Backbone interact. energy: -0.163
local terms energy: -65.253129
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -15.010
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: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -204.214359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.214359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.214359 (E_RNA)
where:
Base-Base interactions energy: -133.919
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.891
local terms energy: -69.403714
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -107.832391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.832391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.832391 (E_RNA)
where:
Base-Base interactions energy: -46.614
where: short stacking energy: -22.979
Base-Backbone interact. energy: -0.705
local terms energy: -60.513431
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: 1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -93.614816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.614816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.614816 (E_RNA)
where:
Base-Base interactions energy: -22.611
where: short stacking energy: -20.000
Base-Backbone interact. energy: -0.022
local terms energy: -70.981703
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -101.009087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.009087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.009087 (E_RNA)
where:
Base-Base interactions energy: -38.499
where: short stacking energy: -24.858
Base-Backbone interact. energy: -0.455
local terms energy: -62.055165
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -286.769292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.769292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.769292 (E_RNA)
where:
Base-Base interactions energy: -204.878
where: short stacking energy: -80.663
Base-Backbone interact. energy: -0.102
local terms energy: -81.789988
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -9.929
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: 2, replica: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -286.746509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.746509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.746509 (E_RNA)
where:
Base-Base interactions energy: -188.880
where: short stacking energy: -91.335
Base-Backbone interact. energy: -0.415
local terms energy: -97.451766
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -26.961
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: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -289.465163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.465163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.465163 (E_RNA)
where:
Base-Base interactions energy: -192.735
where: short stacking energy: -90.663
Base-Backbone interact. energy: -0.068
local terms energy: -96.661316
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -28.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -272.084935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.084935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.084935 (E_RNA)
where:
Base-Base interactions energy: -180.305
where: short stacking energy: -72.487
Base-Backbone interact. energy: -0.116
local terms energy: -91.664346
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -22.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -273.274834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.274834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.274834 (E_RNA)
where:
Base-Base interactions energy: -187.696
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.337
local terms energy: -85.242377
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -26.875
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: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -199.499037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.499037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.499037 (E_RNA)
where:
Base-Base interactions energy: -122.803
where: short stacking energy: -47.282
Base-Backbone interact. energy: -1.189
local terms energy: -75.507446
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -11.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -210.388619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.388619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.388619 (E_RNA)
where:
Base-Base interactions energy: -139.023
where: short stacking energy: -67.365
Base-Backbone interact. energy: -0.343
local terms energy: -71.022416
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -98.853323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.853323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.853323 (E_RNA)
where:
Base-Base interactions energy: -41.747
where: short stacking energy: -37.013
Base-Backbone interact. energy: 1.042
local terms energy: -58.147804
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -7.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -104.400431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.400431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.400431 (E_RNA)
where:
Base-Base interactions energy: -44.259
where: short stacking energy: -44.559
Base-Backbone interact. energy: -0.362
local terms energy: -59.779551
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -86.618518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.618518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.618518 (E_RNA)
where:
Base-Base interactions energy: -28.958
where: short stacking energy: -28.958
Base-Backbone interact. energy: -0.092
local terms energy: -57.567717
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -299.682331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.682331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.682331 (E_RNA)
where:
Base-Base interactions energy: -205.487
where: short stacking energy: -79.438
Base-Backbone interact. energy: -0.081
local terms energy: -94.113924
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -27.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -279.641241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.641241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.641241 (E_RNA)
where:
Base-Base interactions energy: -185.069
where: short stacking energy: -85.446
Base-Backbone interact. energy: -0.008
local terms energy: -94.564128
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -27.185
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: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -282.450490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.450490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.450490 (E_RNA)
where:
Base-Base interactions energy: -183.467
where: short stacking energy: -77.470
Base-Backbone interact. energy: -0.500
local terms energy: -98.482894
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -25.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -274.315759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.315759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.315759 (E_RNA)
where:
Base-Base interactions energy: -185.819
where: short stacking energy: -75.468
Base-Backbone interact. energy: -0.117
local terms energy: -88.379826
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -6.168
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: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -276.222427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.222427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.222427 (E_RNA)
where:
Base-Base interactions energy: -185.266
where: short stacking energy: -78.897
Base-Backbone interact. energy: -0.232
local terms energy: -90.723725
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -208.612066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.612066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.612066 (E_RNA)
where:
Base-Base interactions energy: -137.301
where: short stacking energy: -56.364
Base-Backbone interact. energy: 2.168
local terms energy: -73.478721
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -219.305310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.305310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.305310 (E_RNA)
where:
Base-Base interactions energy: -140.694
where: short stacking energy: -65.697
Base-Backbone interact. energy: -0.107
local terms energy: -78.504285
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -23.515
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: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -101.218287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.218287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.218287 (E_RNA)
where:
Base-Base interactions energy: -42.100
where: short stacking energy: -22.249
Base-Backbone interact. energy: -0.359
local terms energy: -58.758683
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: 3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -89.574025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.574025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.574025 (E_RNA)
where:
Base-Base interactions energy: -39.411
where: short stacking energy: -23.625
Base-Backbone interact. energy: 0.236
local terms energy: -50.399489
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: 3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -85.503769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.503769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.503769 (E_RNA)
where:
Base-Base interactions energy: -25.877
where: short stacking energy: -22.622
Base-Backbone interact. energy: 0.386
local terms energy: -60.012111
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -295.327958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.327958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.327958 (E_RNA)
where:
Base-Base interactions energy: -206.192
where: short stacking energy: -95.811
Base-Backbone interact. energy: -0.004
local terms energy: -89.131904
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -24.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -292.069543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.069543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.069543 (E_RNA)
where:
Base-Base interactions energy: -196.184
where: short stacking energy: -74.475
Base-Backbone interact. energy: -0.355
local terms energy: -95.530203
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -26.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -279.777673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.777673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.777673 (E_RNA)
where:
Base-Base interactions energy: -190.148
where: short stacking energy: -79.686
Base-Backbone interact. energy: -0.078
local terms energy: -89.551790
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -11.371
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: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -279.259924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.259924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.259924 (E_RNA)
where:
Base-Base interactions energy: -193.499
where: short stacking energy: -77.448
Base-Backbone interact. energy: -0.069
local terms energy: -85.691351
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -11.596
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: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -261.462038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.462038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.462038 (E_RNA)
where:
Base-Base interactions energy: -172.566
where: short stacking energy: -74.736
Base-Backbone interact. energy: -0.672
local terms energy: -88.223862
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -12.563
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: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -234.309650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.309650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.309650 (E_RNA)
where:
Base-Base interactions energy: -149.783
where: short stacking energy: -69.629
Base-Backbone interact. energy: -0.611
local terms energy: -83.915564
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -205.984558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.984558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.984558 (E_RNA)
where:
Base-Base interactions energy: -128.450
where: short stacking energy: -55.758
Base-Backbone interact. energy: -0.212
local terms energy: -77.322184
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -100.405683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.405683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.405683 (E_RNA)
where:
Base-Base interactions energy: -44.395
where: short stacking energy: -29.745
Base-Backbone interact. energy: -0.741
local terms energy: -55.269587
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -9.568
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: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -94.549054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.549054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.549054 (E_RNA)
where:
Base-Base interactions energy: -37.018
where: short stacking energy: -29.568
Base-Backbone interact. energy: -0.111
local terms energy: -57.419670
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -91.240989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.240989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.240989 (E_RNA)
where:
Base-Base interactions energy: -38.427
where: short stacking energy: -38.427
Base-Backbone interact. energy: 0.357
local terms energy: -53.171188
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -3.189
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: 43
Temperature: 0.900000
Total energy: -300.003150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.003150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.003150 (E_RNA)
where:
Base-Base interactions energy: -199.174
where: short stacking energy: -95.097
Base-Backbone interact. energy: 0.424
local terms energy: -101.253450
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -15.815
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: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -291.027183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.027183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.027183 (E_RNA)
where:
Base-Base interactions energy: -200.955
where: short stacking energy: -80.003
Base-Backbone interact. energy: 1.926
local terms energy: -91.998097
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -23.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -279.622672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.622672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.622672 (E_RNA)
where:
Base-Base interactions energy: -186.775
where: short stacking energy: -69.844
Base-Backbone interact. energy: -0.211
local terms energy: -92.637214
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -22.931
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: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -279.468306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.468306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.468306 (E_RNA)
where:
Base-Base interactions energy: -181.410
where: short stacking energy: -91.778
Base-Backbone interact. energy: -0.041
local terms energy: -98.016656
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -25.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -270.340394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.340394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.340394 (E_RNA)
where:
Base-Base interactions energy: -185.314
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.119
local terms energy: -84.907027
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -203.068982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.068982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.068982 (E_RNA)
where:
Base-Base interactions energy: -123.355
where: short stacking energy: -54.527
Base-Backbone interact. energy: 0.618
local terms energy: -80.331180
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -17.806
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: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -224.990565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.990565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.990565 (E_RNA)
where:
Base-Base interactions energy: -140.679
where: short stacking energy: -63.749
Base-Backbone interact. energy: -1.116
local terms energy: -83.195433
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -99.170192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.170192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.170192 (E_RNA)
where:
Base-Base interactions energy: -37.757
where: short stacking energy: -34.419
Base-Backbone interact. energy: -0.028
local terms energy: -61.384857
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -115.365913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.365913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.365913 (E_RNA)
where:
Base-Base interactions energy: -62.105
where: short stacking energy: -26.922
Base-Backbone interact. energy: -0.370
local terms energy: -52.890890
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: 1.168
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: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -99.862751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.862751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.862751 (E_RNA)
where:
Base-Base interactions energy: -46.741
where: short stacking energy: -21.785
Base-Backbone interact. energy: -0.607
local terms energy: -52.514154
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -5.839
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: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -293.578557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.578557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.578557 (E_RNA)
where:
Base-Base interactions energy: -201.150
where: short stacking energy: -92.070
Base-Backbone interact. energy: -0.002
local terms energy: -92.426523
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -25.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -283.134428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.134428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.134428 (E_RNA)
where:
Base-Base interactions energy: -190.140
where: short stacking energy: -85.241
Base-Backbone interact. energy: -0.071
local terms energy: -92.922892
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -283.280184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.280184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.280184 (E_RNA)
where:
Base-Base interactions energy: -193.250
where: short stacking energy: -84.774
Base-Backbone interact. energy: -0.133
local terms energy: -89.897126
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.797
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: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -274.037335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.037335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.037335 (E_RNA)
where:
Base-Base interactions energy: -191.523
where: short stacking energy: -67.896
Base-Backbone interact. energy: 0.291
local terms energy: -82.805864
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -275.059049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.059049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.059049 (E_RNA)
where:
Base-Base interactions energy: -194.762
where: short stacking energy: -71.653
Base-Backbone interact. energy: -1.378
local terms energy: -78.918772
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -13.515
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: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -215.185840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.185840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.185840 (E_RNA)
where:
Base-Base interactions energy: -142.399
where: short stacking energy: -64.531
Base-Backbone interact. energy: -0.167
local terms energy: -72.619308
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -19.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -217.931619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.931619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.931619 (E_RNA)
where:
Base-Base interactions energy: -132.826
where: short stacking energy: -52.714
Base-Backbone interact. energy: -0.803
local terms energy: -84.301980
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -14.549
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: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -103.655873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.655873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.655873 (E_RNA)
where:
Base-Base interactions energy: -54.209
where: short stacking energy: -40.362
Base-Backbone interact. energy: -0.180
local terms energy: -49.266972
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -101.713301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.713301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.713301 (E_RNA)
where:
Base-Base interactions energy: -37.623
where: short stacking energy: -30.756
Base-Backbone interact. energy: -0.131
local terms energy: -63.959992
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -8.456
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -103.980959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.980959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.980959 (E_RNA)
where:
Base-Base interactions energy: -48.241
where: short stacking energy: -26.962
Base-Backbone interact. energy: -0.057
local terms energy: -55.682571
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -4.672
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: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -308.884348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.884348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.884348 (E_RNA)
where:
Base-Base interactions energy: -216.070
where: short stacking energy: -83.966
Base-Backbone interact. energy: -0.103
local terms energy: -92.711193
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -27.579
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: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -288.802889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.802889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.802889 (E_RNA)
where:
Base-Base interactions energy: -191.732
where: short stacking energy: -88.966
Base-Backbone interact. energy: -0.002
local terms energy: -97.068464
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -28.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -278.727634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.727634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.727634 (E_RNA)
where:
Base-Base interactions energy: -186.047
where: short stacking energy: -87.509
Base-Backbone interact. energy: 0.777
local terms energy: -93.457009
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -15.288
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: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -282.177523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.177523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.177523 (E_RNA)
where:
Base-Base interactions energy: -194.104
where: short stacking energy: -76.047
Base-Backbone interact. energy: -0.685
local terms energy: -87.388508
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -24.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -276.951440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.951440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.951440 (E_RNA)
where:
Base-Base interactions energy: -187.996
where: short stacking energy: -68.430
Base-Backbone interact. energy: -0.071
local terms energy: -88.884647
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -222.571851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.571851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.571851 (E_RNA)
where:
Base-Base interactions energy: -147.236
where: short stacking energy: -63.660
Base-Backbone interact. energy: 0.110
local terms energy: -75.446288
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -219.803004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.803004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.803004 (E_RNA)
where:
Base-Base interactions energy: -137.677
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.027
local terms energy: -82.099197
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -118.722111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.722111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.722111 (E_RNA)
where:
Base-Base interactions energy: -63.475
where: short stacking energy: -27.484
Base-Backbone interact. energy: -0.241
local terms energy: -55.005515
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -0.831
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: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -89.524558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.524558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.524558 (E_RNA)
where:
Base-Base interactions energy: -29.922
where: short stacking energy: -26.076
Base-Backbone interact. energy: -0.236
local terms energy: -59.366800
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -7.744
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: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -86.646080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.646080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.646080 (E_RNA)
where:
Base-Base interactions energy: -48.076
where: short stacking energy: -24.978
Base-Backbone interact. energy: 1.684
local terms energy: -40.254019
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: 3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -281.607400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.607400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.607400 (E_RNA)
where:
Base-Base interactions energy: -186.708
where: short stacking energy: -86.571
Base-Backbone interact. energy: -0.008
local terms energy: -94.890685
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -16.139
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: 2, replica: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -294.958265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.958265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.958265 (E_RNA)
where:
Base-Base interactions energy: -203.172
where: short stacking energy: -85.344
Base-Backbone interact. energy: -0.038
local terms energy: -91.747987
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -26.413
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: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -273.098599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.098599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.098599 (E_RNA)
where:
Base-Base interactions energy: -187.792
where: short stacking energy: -86.893
Base-Backbone interact. energy: -0.004
local terms energy: -85.302464
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -23.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -272.582198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.582198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.582198 (E_RNA)
where:
Base-Base interactions energy: -185.261
where: short stacking energy: -71.194
Base-Backbone interact. energy: -0.578
local terms energy: -86.743032
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -19.805
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: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -261.893570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.893570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.893570 (E_RNA)
where:
Base-Base interactions energy: -177.146
where: short stacking energy: -67.074
Base-Backbone interact. energy: -0.105
local terms energy: -84.642866
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -255.371794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.371794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.371794 (E_RNA)
where:
Base-Base interactions energy: -175.230
where: short stacking energy: -69.795
Base-Backbone interact. energy: -0.888
local terms energy: -79.254001
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -10.245
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: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -196.207044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.207044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.207044 (E_RNA)
where:
Base-Base interactions energy: -130.848
where: short stacking energy: -58.287
Base-Backbone interact. energy: -0.063
local terms energy: -65.295794
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -111.959130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.959130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.959130 (E_RNA)
where:
Base-Base interactions energy: -46.177
where: short stacking energy: -46.177
Base-Backbone interact. energy: -0.129
local terms energy: -65.653232
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -91.780721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.780721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.780721 (E_RNA)
where:
Base-Base interactions energy: -33.739
where: short stacking energy: -27.063
Base-Backbone interact. energy: 1.230
local terms energy: -59.271596
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -97.970680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.970680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.970680 (E_RNA)
where:
Base-Base interactions energy: -32.617
where: short stacking energy: -32.617
Base-Backbone interact. energy: 0.339
local terms energy: -65.692184
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -12.505
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: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -296.213700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.213700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.213700 (E_RNA)
where:
Base-Base interactions energy: -197.326
where: short stacking energy: -95.094
Base-Backbone interact. energy: -0.001
local terms energy: -98.887300
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -295.452913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.452913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.452913 (E_RNA)
where:
Base-Base interactions energy: -201.991
where: short stacking energy: -86.754
Base-Backbone interact. energy: -0.096
local terms energy: -93.365105
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -13.314
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: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -277.731412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.731412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.731412 (E_RNA)
where:
Base-Base interactions energy: -191.771
where: short stacking energy: -88.334
Base-Backbone interact. energy: -0.000
local terms energy: -85.960086
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -26.879
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: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -259.258533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.258533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.258533 (E_RNA)
where:
Base-Base interactions energy: -174.661
where: short stacking energy: -73.229
Base-Backbone interact. energy: -0.015
local terms energy: -84.582320
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -10.229
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: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -260.833626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.833626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.833626 (E_RNA)
where:
Base-Base interactions energy: -169.334
where: short stacking energy: -65.592
Base-Backbone interact. energy: -0.419
local terms energy: -91.080188
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -12.249
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: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -184.691218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.691218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.691218 (E_RNA)
where:
Base-Base interactions energy: -116.448
where: short stacking energy: -56.598
Base-Backbone interact. energy: -0.040
local terms energy: -68.203220
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -10.221
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: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -226.481730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.481730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.481730 (E_RNA)
where:
Base-Base interactions energy: -148.912
where: short stacking energy: -76.344
Base-Backbone interact. energy: -0.075
local terms energy: -77.494946
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -10.574
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: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -104.289604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.289604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.289604 (E_RNA)
where:
Base-Base interactions energy: -55.910
where: short stacking energy: -25.503
Base-Backbone interact. energy: -0.222
local terms energy: -48.156961
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -7.853
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: 0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -105.919590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.919590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.919590 (E_RNA)
where:
Base-Base interactions energy: -44.605
where: short stacking energy: -39.302
Base-Backbone interact. energy: -0.247
local terms energy: -61.068419
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -91.650532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.650532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.650532 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.194
local terms energy: -58.914828
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -285.929446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.929446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.929446 (E_RNA)
where:
Base-Base interactions energy: -191.841
where: short stacking energy: -82.992
Base-Backbone interact. energy: -0.044
local terms energy: -94.045028
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -24.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -290.016542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.016542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.016542 (E_RNA)
where:
Base-Base interactions energy: -189.415
where: short stacking energy: -89.870
Base-Backbone interact. energy: -0.001
local terms energy: -100.600479
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -27.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -283.370781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.370781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.370781 (E_RNA)
where:
Base-Base interactions energy: -186.280
where: short stacking energy: -79.726
Base-Backbone interact. energy: -0.120
local terms energy: -96.970521
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -12.263
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: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -240.945213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.945213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.945213 (E_RNA)
where:
Base-Base interactions energy: -155.080
where: short stacking energy: -76.341
Base-Backbone interact. energy: -0.784
local terms energy: -85.080856
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -273.372503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.372503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.372503 (E_RNA)
where:
Base-Base interactions energy: -184.502
where: short stacking energy: -74.588
Base-Backbone interact. energy: -0.174
local terms energy: -88.696496
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -170.724087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.724087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.724087 (E_RNA)
where:
Base-Base interactions energy: -102.645
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.095
local terms energy: -67.983999
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -11.179
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: 48
Temperature: 1.200000
Total energy: -216.598643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.598643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.598643 (E_RNA)
where:
Base-Base interactions energy: -137.447
where: short stacking energy: -61.120
Base-Backbone interact. energy: -0.119
local terms energy: -79.032638
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -117.238100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.238100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.238100 (E_RNA)
where:
Base-Base interactions energy: -48.774
where: short stacking energy: -47.781
Base-Backbone interact. energy: -0.040
local terms energy: -68.424970
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -8.466
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: 48
Temperature: 1.300000
Total energy: -95.314491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.314491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.314491 (E_RNA)
where:
Base-Base interactions energy: -39.448
where: short stacking energy: -37.137
Base-Backbone interact. energy: -0.368
local terms energy: -55.497696
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -6.422
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -2.875
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: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -89.302058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.302058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.302058 (E_RNA)
where:
Base-Base interactions energy: -23.464
where: short stacking energy: -20.118
Base-Backbone interact. energy: -0.264
local terms energy: -65.574352
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -4.616
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: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -298.899087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.899087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.899087 (E_RNA)
where:
Base-Base interactions energy: -202.076
where: short stacking energy: -86.565
Base-Backbone interact. energy: -0.022
local terms energy: -96.800965
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -27.546
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: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -288.965621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.965621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.965621 (E_RNA)
where:
Base-Base interactions energy: -184.823
where: short stacking energy: -84.653
Base-Backbone interact. energy: -0.000
local terms energy: -104.142555
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -291.820621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.820621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.820621 (E_RNA)
where:
Base-Base interactions energy: -198.355
where: short stacking energy: -83.933
Base-Backbone interact. energy: -0.078
local terms energy: -93.387437
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -19.898
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -22.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -273.673601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.673601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.673601 (E_RNA)
where:
Base-Base interactions energy: -191.219
where: short stacking energy: -74.884
Base-Backbone interact. energy: -0.083
local terms energy: -82.371495
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -20.162
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: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -226.774791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.774791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.774791 (E_RNA)
where:
Base-Base interactions energy: -153.394
where: short stacking energy: -67.814
Base-Backbone interact. energy: -0.872
local terms energy: -72.509054
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -15.208
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: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -223.201154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.201154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.201154 (E_RNA)
where:
Base-Base interactions energy: -135.203
where: short stacking energy: -57.540
Base-Backbone interact. energy: 0.080
local terms energy: -88.077813
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -208.823740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.823740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.823740 (E_RNA)
where:
Base-Base interactions energy: -131.164
where: short stacking energy: -62.775
Base-Backbone interact. energy: 0.714
local terms energy: -78.373628
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -21.429
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: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -101.122732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.122732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.122732 (E_RNA)
where:
Base-Base interactions energy: -49.727
where: short stacking energy: -32.454
Base-Backbone interact. energy: -0.214
local terms energy: -51.181512
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -94.025802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.025802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.025802 (E_RNA)
where:
Base-Base interactions energy: -34.235
where: short stacking energy: -32.165
Base-Backbone interact. energy: -0.135
local terms energy: -59.655242
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -8.522
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -89.666022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.666022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.666022 (E_RNA)
where:
Base-Base interactions energy: -36.062
where: short stacking energy: -30.384
Base-Backbone interact. energy: 1.520
local terms energy: -55.123126
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -1.927
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -290.030453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.030453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.030453 (E_RNA)
where:
Base-Base interactions energy: -195.930
where: short stacking energy: -98.881
Base-Backbone interact. energy: -0.023
local terms energy: -94.077412
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -12.620
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: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -284.283158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.283158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.283158 (E_RNA)
where:
Base-Base interactions energy: -194.548
where: short stacking energy: -76.870
Base-Backbone interact. energy: -0.354
local terms energy: -89.380801
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -22.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -282.020729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.020729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.020729 (E_RNA)
where:
Base-Base interactions energy: -192.110
where: short stacking energy: -76.324
Base-Backbone interact. energy: -0.201
local terms energy: -89.709332
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -24.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -270.990494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.990494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.990494 (E_RNA)
where:
Base-Base interactions energy: -190.846
where: short stacking energy: -64.142
Base-Backbone interact. energy: -1.178
local terms energy: -78.966764
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -8.712
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: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -213.842367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.842367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.842367 (E_RNA)
where:
Base-Base interactions energy: -128.613
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.004
local terms energy: -85.225614
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -219.186368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.186368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.186368 (E_RNA)
where:
Base-Base interactions energy: -144.357
where: short stacking energy: -57.390
Base-Backbone interact. energy: -0.369
local terms energy: -74.459792
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -6.881
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: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -215.737558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.737558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.737558 (E_RNA)
where:
Base-Base interactions energy: -135.282
where: short stacking energy: -58.390
Base-Backbone interact. energy: 0.113
local terms energy: -80.568727
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -101.254201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.254201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.254201 (E_RNA)
where:
Base-Base interactions energy: -39.719
where: short stacking energy: -36.531
Base-Backbone interact. energy: -0.121
local terms energy: -61.413702
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -6.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -104.287837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.287837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.287837 (E_RNA)
where:
Base-Base interactions energy: -37.764
where: short stacking energy: -34.417
Base-Backbone interact. energy: -0.404
local terms energy: -66.119424
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -8.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -85.752336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.752336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.752336 (E_RNA)
where:
Base-Base interactions energy: -33.549
where: short stacking energy: -33.224
Base-Backbone interact. energy: 0.855
local terms energy: -53.058326
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -296.010213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.010213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.010213 (E_RNA)
where:
Base-Base interactions energy: -205.351
where: short stacking energy: -84.795
Base-Backbone interact. energy: -0.122
local terms energy: -90.536708
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -287.671849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.671849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.671849 (E_RNA)
where:
Base-Base interactions energy: -199.920
where: short stacking energy: -72.837
Base-Backbone interact. energy: -0.459
local terms energy: -87.293706
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -23.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -273.215342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.215342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.215342 (E_RNA)
where:
Base-Base interactions energy: -176.735
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.049
local terms energy: -96.431518
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -26.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -226.685217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.685217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.685217 (E_RNA)
where:
Base-Base interactions energy: -142.780
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.045
local terms energy: -83.860442
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -12.658
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: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -272.994902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.994902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.994902 (E_RNA)
where:
Base-Base interactions energy: -191.513
where: short stacking energy: -64.203
Base-Backbone interact. energy: -0.041
local terms energy: -81.440920
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -196.773670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.773670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.773670 (E_RNA)
where:
Base-Base interactions energy: -120.465
where: short stacking energy: -48.659
Base-Backbone interact. energy: -0.960
local terms energy: -75.348627
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -11.090
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: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -180.875503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.875503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.875503 (E_RNA)
where:
Base-Base interactions energy: -113.538
where: short stacking energy: -43.673
Base-Backbone interact. energy: -0.144
local terms energy: -67.193450
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -9.790
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: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -110.858568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.858568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.858568 (E_RNA)
where:
Base-Base interactions energy: -53.080
where: short stacking energy: -28.759
Base-Backbone interact. energy: -0.536
local terms energy: -57.242401
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -93.758208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.758208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.758208 (E_RNA)
where:
Base-Base interactions energy: -32.841
where: short stacking energy: -33.262
Base-Backbone interact. energy: -0.251
local terms energy: -60.665958
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -85.417599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.417599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.417599 (E_RNA)
where:
Base-Base interactions energy: -39.816
where: short stacking energy: -21.198
Base-Backbone interact. energy: -1.184
local terms energy: -44.417651
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -0.551
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: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -298.385784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.385784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.385784 (E_RNA)
where:
Base-Base interactions energy: -202.035
where: short stacking energy: -89.394
Base-Backbone interact. energy: -1.206
local terms energy: -95.144970
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -291.057047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.057047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.057047 (E_RNA)
where:
Base-Base interactions energy: -203.263
where: short stacking energy: -80.337
Base-Backbone interact. energy: -0.074
local terms energy: -87.720016
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -242.885044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.885044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.885044 (E_RNA)
where:
Base-Base interactions energy: -155.428
where: short stacking energy: -76.023
Base-Backbone interact. energy: -0.122
local terms energy: -87.335529
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -278.354351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.354351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.354351 (E_RNA)
where:
Base-Base interactions energy: -183.513
where: short stacking energy: -81.908
Base-Backbone interact. energy: -3.000
local terms energy: -91.841450
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -26.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -268.504355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.504355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.504355 (E_RNA)
where:
Base-Base interactions energy: -191.015
where: short stacking energy: -74.449
Base-Backbone interact. energy: -0.173
local terms energy: -77.316738
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -24.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -218.393374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.393374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.393374 (E_RNA)
where:
Base-Base interactions energy: -145.017
where: short stacking energy: -67.372
Base-Backbone interact. energy: -0.009
local terms energy: -73.366991
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -203.283960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.283960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.283960 (E_RNA)
where:
Base-Base interactions energy: -139.789
where: short stacking energy: -64.399
Base-Backbone interact. energy: -0.008
local terms energy: -63.486566
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -13.672
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: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -102.426957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.426957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.426957 (E_RNA)
where:
Base-Base interactions energy: -48.260
where: short stacking energy: -22.499
Base-Backbone interact. energy: -0.551
local terms energy: -53.616527
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -105.483813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.483813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.483813 (E_RNA)
where:
Base-Base interactions energy: -42.832
where: short stacking energy: -29.885
Base-Backbone interact. energy: -0.188
local terms energy: -62.464754
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -88.196699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.196699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.196699 (E_RNA)
where:
Base-Base interactions energy: -38.079
where: short stacking energy: -38.079
Base-Backbone interact. energy: 1.481
local terms energy: -51.598359
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -6.017
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: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -296.871070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.871070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.871070 (E_RNA)
where:
Base-Base interactions energy: -199.461
where: short stacking energy: -82.565
Base-Backbone interact. energy: -1.071
local terms energy: -96.338796
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -24.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -283.697359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.697359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.697359 (E_RNA)
where:
Base-Base interactions energy: -195.118
where: short stacking energy: -85.145
Base-Backbone interact. energy: -0.365
local terms energy: -88.213764
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -233.163912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.163912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.163912 (E_RNA)
where:
Base-Base interactions energy: -156.206
where: short stacking energy: -67.929
Base-Backbone interact. energy: -0.403
local terms energy: -76.554935
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -283.817287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.817287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.817287 (E_RNA)
where:
Base-Base interactions energy: -191.395
where: short stacking energy: -84.826
Base-Backbone interact. energy: 0.785
local terms energy: -93.206704
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -26.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -260.438890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.438890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.438890 (E_RNA)
where:
Base-Base interactions energy: -180.551
where: short stacking energy: -75.753
Base-Backbone interact. energy: -0.194
local terms energy: -79.693672
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -228.089424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.089424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.089424 (E_RNA)
where:
Base-Base interactions energy: -154.630
where: short stacking energy: -64.979
Base-Backbone interact. energy: -1.238
local terms energy: -72.220920
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -184.246426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.246426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.246426 (E_RNA)
where:
Base-Base interactions energy: -105.103
where: short stacking energy: -44.382
Base-Backbone interact. energy: 0.240
local terms energy: -79.383532
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -122.217361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.217361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.217361 (E_RNA)
where:
Base-Base interactions energy: -66.289
where: short stacking energy: -59.348
Base-Backbone interact. energy: -0.010
local terms energy: -55.919091
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -8.480
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -97.724922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.724922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.724922 (E_RNA)
where:
Base-Base interactions energy: -42.113
where: short stacking energy: -14.773
Base-Backbone interact. energy: -0.448
local terms energy: -55.164124
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: 0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -104.678963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.678963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.678963 (E_RNA)
where:
Base-Base interactions energy: -44.562
where: short stacking energy: -38.695
Base-Backbone interact. energy: -0.122
local terms energy: -59.995130
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -7.625
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: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -301.650018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.650018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.650018 (E_RNA)
where:
Base-Base interactions energy: -210.646
where: short stacking energy: -87.980
Base-Backbone interact. energy: -0.125
local terms energy: -90.879271
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -24.601
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: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -280.255897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.255897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.255897 (E_RNA)
where:
Base-Base interactions energy: -187.345
where: short stacking energy: -86.989
Base-Backbone interact. energy: -0.720
local terms energy: -92.190856
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -28.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -287.752472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.752472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.752472 (E_RNA)
where:
Base-Base interactions energy: -187.372
where: short stacking energy: -87.450
Base-Backbone interact. energy: 0.071
local terms energy: -100.451738
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -27.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -237.520790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.520790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.520790 (E_RNA)
where:
Base-Base interactions energy: -158.052
where: short stacking energy: -79.943
Base-Backbone interact. energy: -0.052
local terms energy: -79.416901
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -19.658
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: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -264.387925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.387925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.387925 (E_RNA)
where:
Base-Base interactions energy: -183.409
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.041
local terms energy: -80.938444
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -225.252839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.252839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.252839 (E_RNA)
where:
Base-Base interactions energy: -152.985
where: short stacking energy: -71.060
Base-Backbone interact. energy: -0.253
local terms energy: -72.015516
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -20.649
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: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -208.279979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.279979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.279979 (E_RNA)
where:
Base-Base interactions energy: -127.775
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.004
local terms energy: -80.500977
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -15.479
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: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -115.959823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.959823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.959823 (E_RNA)
where:
Base-Base interactions energy: -45.366
where: short stacking energy: -34.428
Base-Backbone interact. energy: -0.405
local terms energy: -70.188828
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -95.444303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.444303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.444303 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -19.188
Base-Backbone interact. energy: -0.226
local terms energy: -55.295637
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: 1.034
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: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -91.446893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.446893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.446893 (E_RNA)
where:
Base-Base interactions energy: -29.989
where: short stacking energy: -20.813
Base-Backbone interact. energy: -0.051
local terms energy: -61.406877
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -10.720
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: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -298.999756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.999756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.999756 (E_RNA)
where:
Base-Base interactions energy: -201.067
where: short stacking energy: -79.027
Base-Backbone interact. energy: 1.107
local terms energy: -99.039300
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -25.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -285.882794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.882794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.882794 (E_RNA)
where:
Base-Base interactions energy: -188.443
where: short stacking energy: -83.328
Base-Backbone interact. energy: -0.274
local terms energy: -97.166609
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -281.759298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.759298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.759298 (E_RNA)
where:
Base-Base interactions energy: -186.938
where: short stacking energy: -89.321
Base-Backbone interact. energy: -0.042
local terms energy: -94.779548
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -28.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -267.949182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.949182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.949182 (E_RNA)
where:
Base-Base interactions energy: -187.255
where: short stacking energy: -72.579
Base-Backbone interact. energy: -0.150
local terms energy: -80.544688
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -231.216295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.216295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.216295 (E_RNA)
where:
Base-Base interactions energy: -155.843
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.014
local terms energy: -75.359040
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -17.403
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: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -220.984084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.984084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.984084 (E_RNA)
where:
Base-Base interactions energy: -148.457
where: short stacking energy: -70.475
Base-Backbone interact. energy: -0.088
local terms energy: -72.439230
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -221.298037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.298037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.298037 (E_RNA)
where:
Base-Base interactions energy: -140.206
where: short stacking energy: -55.355
Base-Backbone interact. energy: -0.214
local terms energy: -80.877623
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -14.795
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: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -101.351571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.351571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.351571 (E_RNA)
where:
Base-Base interactions energy: -44.557
where: short stacking energy: -30.264
Base-Backbone interact. energy: -0.790
local terms energy: -56.005260
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -6.722
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: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -91.708242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.708242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.708242 (E_RNA)
where:
Base-Base interactions energy: -31.978
where: short stacking energy: -23.916
Base-Backbone interact. energy: -0.803
local terms energy: -58.927400
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -104.709317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.709317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.709317 (E_RNA)
where:
Base-Base interactions energy: -50.874
where: short stacking energy: -31.461
Base-Backbone interact. energy: 3.513
local terms energy: -57.348492
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -302.363893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.363893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.363893 (E_RNA)
where:
Base-Base interactions energy: -201.588
where: short stacking energy: -86.050
Base-Backbone interact. energy: -1.186
local terms energy: -99.589920
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -25.417
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: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -277.648107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.648107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.648107 (E_RNA)
where:
Base-Base interactions energy: -183.878
where: short stacking energy: -81.232
Base-Backbone interact. energy: -0.023
local terms energy: -93.747209
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -28.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -277.442707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.442707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.442707 (E_RNA)
where:
Base-Base interactions energy: -186.022
where: short stacking energy: -74.027
Base-Backbone interact. energy: -0.138
local terms energy: -91.283329
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -6.447
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: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -263.903775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.903775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.903775 (E_RNA)
where:
Base-Base interactions energy: -179.365
where: short stacking energy: -77.436
Base-Backbone interact. energy: -0.012
local terms energy: -84.527457
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -22.884
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: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -221.692275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.692275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.692275 (E_RNA)
where:
Base-Base interactions energy: -148.183
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.493
local terms energy: -73.015575
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -208.786874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.786874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.786874 (E_RNA)
where:
Base-Base interactions energy: -136.257
where: short stacking energy: -56.409
Base-Backbone interact. energy: -0.477
local terms energy: -72.053063
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -221.452857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.452857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.452857 (E_RNA)
where:
Base-Base interactions energy: -142.372
where: short stacking energy: -70.898
Base-Backbone interact. energy: -0.004
local terms energy: -79.076141
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -125.700557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.700557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.700557 (E_RNA)
where:
Base-Base interactions energy: -56.631
where: short stacking energy: -35.571
Base-Backbone interact. energy: -0.215
local terms energy: -68.855140
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -96.540947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.540947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.540947 (E_RNA)
where:
Base-Base interactions energy: -32.602
where: short stacking energy: -31.854
Base-Backbone interact. energy: -0.468
local terms energy: -63.470695
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -80.431566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.431566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.431566 (E_RNA)
where:
Base-Base interactions energy: -25.009
where: short stacking energy: -24.479
Base-Backbone interact. energy: -1.834
local terms energy: -53.588900
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: 2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -295.587226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.587226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.587226 (E_RNA)
where:
Base-Base interactions energy: -194.350
where: short stacking energy: -85.705
Base-Backbone interact. energy: -0.238
local terms energy: -100.998544
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -28.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -284.533283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.533283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.533283 (E_RNA)
where:
Base-Base interactions energy: -189.908
where: short stacking energy: -90.271
Base-Backbone interact. energy: -0.706
local terms energy: -93.919010
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -27.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -281.377117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.377117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.377117 (E_RNA)
where:
Base-Base interactions energy: -195.356
where: short stacking energy: -78.060
Base-Backbone interact. energy: -0.013
local terms energy: -86.008001
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -23.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -246.155160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.155160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.155160 (E_RNA)
where:
Base-Base interactions energy: -159.412
where: short stacking energy: -73.830
Base-Backbone interact. energy: -0.013
local terms energy: -86.730132
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -223.653794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.653794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.653794 (E_RNA)
where:
Base-Base interactions energy: -141.122
where: short stacking energy: -64.392
Base-Backbone interact. energy: -0.467
local terms energy: -82.064777
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -11.680
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: 57
Temperature: 1.150000
Total energy: -215.735879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.735879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.735879 (E_RNA)
where:
Base-Base interactions energy: -138.234
where: short stacking energy: -62.269
Base-Backbone interact. energy: 0.987
local terms energy: -78.488962
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -16.633
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: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -201.555201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.555201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.555201 (E_RNA)
where:
Base-Base interactions energy: -133.896
where: short stacking energy: -50.371
Base-Backbone interact. energy: -0.362
local terms energy: -67.297155
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -14.337
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: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -101.138006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.138006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.138006 (E_RNA)
where:
Base-Base interactions energy: -46.704
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.209
local terms energy: -54.224877
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -9.812
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: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -95.598493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.598493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.598493 (E_RNA)
where:
Base-Base interactions energy: -26.407
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.578
local terms energy: -68.613200
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -15.087
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: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -86.476730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.476730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.476730 (E_RNA)
where:
Base-Base interactions energy: -39.849
where: short stacking energy: -15.185
Base-Backbone interact. energy: 0.079
local terms energy: -46.707242
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: 7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -291.418271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.418271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.418271 (E_RNA)
where:
Base-Base interactions energy: -192.758
where: short stacking energy: -87.419
Base-Backbone interact. energy: -0.064
local terms energy: -98.597051
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -14.994
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: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -277.451132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.451132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.451132 (E_RNA)
where:
Base-Base interactions energy: -189.217
where: short stacking energy: -85.864
Base-Backbone interact. energy: -0.028
local terms energy: -88.206367
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -24.489
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: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -283.620444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.620444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.620444 (E_RNA)
where:
Base-Base interactions energy: -193.568
where: short stacking energy: -70.994
Base-Backbone interact. energy: -0.143
local terms energy: -89.909793
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -269.372027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.372027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.372027 (E_RNA)
where:
Base-Base interactions energy: -169.578
where: short stacking energy: -73.643
Base-Backbone interact. energy: -0.600
local terms energy: -99.193881
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -12.699
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: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -223.636953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.636953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.636953 (E_RNA)
where:
Base-Base interactions energy: -149.278
where: short stacking energy: -74.268
Base-Backbone interact. energy: -0.100
local terms energy: -74.259133
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -233.886426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.886426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.886426 (E_RNA)
where:
Base-Base interactions energy: -154.520
where: short stacking energy: -58.667
Base-Backbone interact. energy: -1.387
local terms energy: -77.979666
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -216.323566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.323566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.323566 (E_RNA)
where:
Base-Base interactions energy: -141.710
where: short stacking energy: -57.321
Base-Backbone interact. energy: -0.139
local terms energy: -74.475083
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -11.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -107.087676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.087676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.087676 (E_RNA)
where:
Base-Base interactions energy: -48.934
where: short stacking energy: -30.710
Base-Backbone interact. energy: -0.499
local terms energy: -57.654839
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -5.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -86.673575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.673575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.673575 (E_RNA)
where:
Base-Base interactions energy: -27.262
where: short stacking energy: -27.289
Base-Backbone interact. energy: -0.219
local terms energy: -59.192975
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -85.249827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.249827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.249827 (E_RNA)
where:
Base-Base interactions energy: -19.557
where: short stacking energy: -19.557
Base-Backbone interact. energy: 0.011
local terms energy: -65.703347
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -299.066439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.066439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.066439 (E_RNA)
where:
Base-Base interactions energy: -203.310
where: short stacking energy: -91.854
Base-Backbone interact. energy: -0.127
local terms energy: -95.628986
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -11.100
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: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -283.100722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.100722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.100722 (E_RNA)
where:
Base-Base interactions energy: -197.387
where: short stacking energy: -84.566
Base-Backbone interact. energy: -0.165
local terms energy: -85.549194
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -8.448
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: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -290.642271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.642271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.642271 (E_RNA)
where:
Base-Base interactions energy: -203.544
where: short stacking energy: -79.544
Base-Backbone interact. energy: -0.049
local terms energy: -87.049790
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -23.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -232.543636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.543636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.543636 (E_RNA)
where:
Base-Base interactions energy: -144.976
where: short stacking energy: -63.476
Base-Backbone interact. energy: -0.035
local terms energy: -87.532381
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -266.825314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.825314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.825314 (E_RNA)
where:
Base-Base interactions energy: -181.365
where: short stacking energy: -82.435
Base-Backbone interact. energy: 0.430
local terms energy: -85.891010
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -229.485189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.485189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.485189 (E_RNA)
where:
Base-Base interactions energy: -150.261
where: short stacking energy: -65.807
Base-Backbone interact. energy: -1.003
local terms energy: -78.220970
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -203.303005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.303005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.303005 (E_RNA)
where:
Base-Base interactions energy: -135.239
where: short stacking energy: -69.867
Base-Backbone interact. energy: -0.029
local terms energy: -68.034752
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -116.428452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.428452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.428452 (E_RNA)
where:
Base-Base interactions energy: -50.611
where: short stacking energy: -39.223
Base-Backbone interact. energy: -0.222
local terms energy: -65.595037
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -95.013529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.013529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.013529 (E_RNA)
where:
Base-Base interactions energy: -32.462
where: short stacking energy: -32.462
Base-Backbone interact. energy: -0.143
local terms energy: -62.408780
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -91.924076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.924076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.924076 (E_RNA)
where:
Base-Base interactions energy: -41.400
where: short stacking energy: -27.983
Base-Backbone interact. energy: -0.959
local terms energy: -49.565205
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -8.301
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: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -296.211254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.211254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.211254 (E_RNA)
where:
Base-Base interactions energy: -205.608
where: short stacking energy: -81.279
Base-Backbone interact. energy: -0.545
local terms energy: -90.058183
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -12.436
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: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -298.855238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.855238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.855238 (E_RNA)
where:
Base-Base interactions energy: -199.547
where: short stacking energy: -84.599
Base-Backbone interact. energy: -0.174
local terms energy: -99.134132
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -27.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -283.231404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.231404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.231404 (E_RNA)
where:
Base-Base interactions energy: -195.409
where: short stacking energy: -84.200
Base-Backbone interact. energy: -0.251
local terms energy: -87.571443
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -225.392592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.392592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.392592 (E_RNA)
where:
Base-Base interactions energy: -147.322
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.112
local terms energy: -77.958542
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -9.558
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: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -275.359678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.359678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.359678 (E_RNA)
where:
Base-Base interactions energy: -174.745
where: short stacking energy: -78.204
Base-Backbone interact. energy: -0.062
local terms energy: -100.552849
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -27.226
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: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -222.640463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.640463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.640463 (E_RNA)
where:
Base-Base interactions energy: -138.712
where: short stacking energy: -63.846
Base-Backbone interact. energy: -0.326
local terms energy: -83.601929
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -22.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -204.931777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.931777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.931777 (E_RNA)
where:
Base-Base interactions energy: -136.386
where: short stacking energy: -57.293
Base-Backbone interact. energy: -0.227
local terms energy: -68.318246
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -102.044813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.044813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.044813 (E_RNA)
where:
Base-Base interactions energy: -45.642
where: short stacking energy: -35.238
Base-Backbone interact. energy: 1.738
local terms energy: -58.140622
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -3.497
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: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -103.724194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.724194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.724194 (E_RNA)
where:
Base-Base interactions energy: -45.906
where: short stacking energy: -39.382
Base-Backbone interact. energy: -0.448
local terms energy: -57.370352
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -103.319075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.319075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.319075 (E_RNA)
where:
Base-Base interactions energy: -37.666
where: short stacking energy: -28.465
Base-Backbone interact. energy: 0.184
local terms energy: -65.837232
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -296.072868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.072868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.072868 (E_RNA)
where:
Base-Base interactions energy: -199.505
where: short stacking energy: -78.264
Base-Backbone interact. energy: -0.247
local terms energy: -96.321567
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -27.531
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: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -287.287560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.287560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.287560 (E_RNA)
where:
Base-Base interactions energy: -196.388
where: short stacking energy: -88.029
Base-Backbone interact. energy: -0.001
local terms energy: -90.898268
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -26.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -283.813632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.813632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.813632 (E_RNA)
where:
Base-Base interactions energy: -188.396
where: short stacking energy: -88.646
Base-Backbone interact. energy: -0.134
local terms energy: -95.284260
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -28.748
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: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -268.078510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.078510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.078510 (E_RNA)
where:
Base-Base interactions energy: -180.403
where: short stacking energy: -84.578
Base-Backbone interact. energy: -0.018
local terms energy: -87.657845
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -25.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -216.325596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.325596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.325596 (E_RNA)
where:
Base-Base interactions energy: -142.474
where: short stacking energy: -71.761
Base-Backbone interact. energy: 0.038
local terms energy: -73.888981
where:
bonds (distance) C4'-P energy: -7.453
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -12.927
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: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -215.497653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.497653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.497653 (E_RNA)
where:
Base-Base interactions energy: -141.019
where: short stacking energy: -64.612
Base-Backbone interact. energy: -0.035
local terms energy: -74.442762
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -212.115014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.115014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.115014 (E_RNA)
where:
Base-Base interactions energy: -138.343
where: short stacking energy: -58.437
Base-Backbone interact. energy: -0.774
local terms energy: -72.998180
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -97.581780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.581780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.581780 (E_RNA)
where:
Base-Base interactions energy: -32.675
where: short stacking energy: -31.904
Base-Backbone interact. energy: -0.187
local terms energy: -64.719671
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -95.918094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.918094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.918094 (E_RNA)
where:
Base-Base interactions energy: -35.124
where: short stacking energy: -35.124
Base-Backbone interact. energy: -0.082
local terms energy: -60.711846
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -10.713
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: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -92.677429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.677429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.677429 (E_RNA)
where:
Base-Base interactions energy: -36.396
where: short stacking energy: -29.290
Base-Backbone interact. energy: -0.415
local terms energy: -55.866630
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -294.128391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.128391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.128391 (E_RNA)
where:
Base-Base interactions energy: -200.722
where: short stacking energy: -76.350
Base-Backbone interact. energy: -0.069
local terms energy: -93.337361
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -25.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -284.135162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.135162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.135162 (E_RNA)
where:
Base-Base interactions energy: -193.657
where: short stacking energy: -83.817
Base-Backbone interact. energy: -0.004
local terms energy: -90.474465
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -23.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -277.632540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.632540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.632540 (E_RNA)
where:
Base-Base interactions energy: -189.661
where: short stacking energy: -84.133
Base-Backbone interact. energy: -0.271
local terms energy: -87.700684
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -26.566
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: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -285.190316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.190316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.190316 (E_RNA)
where:
Base-Base interactions energy: -195.641
where: short stacking energy: -83.870
Base-Backbone interact. energy: -0.155
local terms energy: -89.394381
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -14.732
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: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -225.654081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.654081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.654081 (E_RNA)
where:
Base-Base interactions energy: -150.167
where: short stacking energy: -68.210
Base-Backbone interact. energy: 1.017
local terms energy: -76.503684
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -19.517
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: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -209.299760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.299760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.299760 (E_RNA)
where:
Base-Base interactions energy: -128.687
where: short stacking energy: -63.609
Base-Backbone interact. energy: 0.003
local terms energy: -80.615104
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -205.718600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.718600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.718600 (E_RNA)
where:
Base-Base interactions energy: -135.860
where: short stacking energy: -61.591
Base-Backbone interact. energy: -0.114
local terms energy: -69.744478
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -87.525431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.525431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.525431 (E_RNA)
where:
Base-Base interactions energy: -25.482
where: short stacking energy: -25.379
Base-Backbone interact. energy: 2.096
local terms energy: -64.139791
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -93.085801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.085801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.085801 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -29.604
Base-Backbone interact. energy: -0.282
local terms energy: -61.959162
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -116.891427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.891427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.891427 (E_RNA)
where:
Base-Base interactions energy: -53.753
where: short stacking energy: -17.809
Base-Backbone interact. energy: 0.534
local terms energy: -63.672692
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -294.432442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.432442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.432442 (E_RNA)
where:
Base-Base interactions energy: -200.508
where: short stacking energy: -82.175
Base-Backbone interact. energy: -0.127
local terms energy: -93.796768
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -287.735509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.735509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.735509 (E_RNA)
where:
Base-Base interactions energy: -195.612
where: short stacking energy: -87.048
Base-Backbone interact. energy: -0.005
local terms energy: -92.118354
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -13.224
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: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -288.373792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.373792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.373792 (E_RNA)
where:
Base-Base interactions energy: -193.168
where: short stacking energy: -89.766
Base-Backbone interact. energy: -0.004
local terms energy: -95.202034
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -24.775
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: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -278.070007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.070007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.070007 (E_RNA)
where:
Base-Base interactions energy: -189.794
where: short stacking energy: -94.597
Base-Backbone interact. energy: 0.122
local terms energy: -88.398209
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -25.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -221.872704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.872704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.872704 (E_RNA)
where:
Base-Base interactions energy: -140.355
where: short stacking energy: -63.829
Base-Backbone interact. energy: -0.027
local terms energy: -81.491316
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -21.090
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: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -217.447486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.447486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.447486 (E_RNA)
where:
Base-Base interactions energy: -134.575
where: short stacking energy: -66.495
Base-Backbone interact. energy: -0.031
local terms energy: -82.841348
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -196.807606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.807606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.807606 (E_RNA)
where:
Base-Base interactions energy: -131.080
where: short stacking energy: -57.163
Base-Backbone interact. energy: 1.704
local terms energy: -67.431659
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -97.428896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.428896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.428896 (E_RNA)
where:
Base-Base interactions energy: -31.257
where: short stacking energy: -17.241
Base-Backbone interact. energy: -0.029
local terms energy: -66.142639
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -13.470
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: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -109.403387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.403387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.403387 (E_RNA)
where:
Base-Base interactions energy: -51.985
where: short stacking energy: -46.831
Base-Backbone interact. energy: -0.136
local terms energy: -57.282282
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -85.817866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.817866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.817866 (E_RNA)
where:
Base-Base interactions energy: -36.112
where: short stacking energy: -29.732
Base-Backbone interact. energy: -0.139
local terms energy: -49.566976
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -0.875
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: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -294.626392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.626392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.626392 (E_RNA)
where:
Base-Base interactions energy: -200.697
where: short stacking energy: -82.007
Base-Backbone interact. energy: -0.082
local terms energy: -93.847533
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -25.737
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: 64
Temperature: 0.950000
Total energy: -290.002989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.002989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.002989 (E_RNA)
where:
Base-Base interactions energy: -195.008
where: short stacking energy: -76.007
Base-Backbone interact. energy: -0.073
local terms energy: -94.922182
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -24.099
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: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -275.703054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.703054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.703054 (E_RNA)
where:
Base-Base interactions energy: -187.795
where: short stacking energy: -85.319
Base-Backbone interact. energy: -0.192
local terms energy: -87.716227
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -13.712
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: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -267.977409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.977409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.977409 (E_RNA)
where:
Base-Base interactions energy: -187.971
where: short stacking energy: -69.520
Base-Backbone interact. energy: 0.110
local terms energy: -80.117006
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -10.801
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: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -217.520818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.520818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.520818 (E_RNA)
where:
Base-Base interactions energy: -133.148
where: short stacking energy: -68.939
Base-Backbone interact. energy: 1.159
local terms energy: -85.531544
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -14.079
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: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -220.707810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.707810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.707810 (E_RNA)
where:
Base-Base interactions energy: -139.518
where: short stacking energy: -67.230
Base-Backbone interact. energy: -0.248
local terms energy: -80.941912
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -210.199006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.199006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.199006 (E_RNA)
where:
Base-Base interactions energy: -135.811
where: short stacking energy: -64.032
Base-Backbone interact. energy: -0.243
local terms energy: -74.144881
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -97.120526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.120526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.120526 (E_RNA)
where:
Base-Base interactions energy: -34.421
where: short stacking energy: -33.862
Base-Backbone interact. energy: -0.081
local terms energy: -62.618895
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -89.229868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.229868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.229868 (E_RNA)
where:
Base-Base interactions energy: -37.414
where: short stacking energy: -24.948
Base-Backbone interact. energy: -0.122
local terms energy: -51.694385
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: 6.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -105.141404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.141404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.141404 (E_RNA)
where:
Base-Base interactions energy: -45.334
where: short stacking energy: -34.036
Base-Backbone interact. energy: 0.247
local terms energy: -60.054170
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -297.576585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.576585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.576585 (E_RNA)
where:
Base-Base interactions energy: -201.118
where: short stacking energy: -80.361
Base-Backbone interact. energy: -0.018
local terms energy: -96.440190
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -22.265
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: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -287.997701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.997701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.997701 (E_RNA)
where:
Base-Base interactions energy: -194.908
where: short stacking energy: -84.111
Base-Backbone interact. energy: -0.093
local terms energy: -92.997056
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -25.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -284.893442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.893442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.893442 (E_RNA)
where:
Base-Base interactions energy: -197.130
where: short stacking energy: -74.915
Base-Backbone interact. energy: 0.790
local terms energy: -88.553156
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -266.639163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.639163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.639163 (E_RNA)
where:
Base-Base interactions energy: -189.926
where: short stacking energy: -77.617
Base-Backbone interact. energy: 1.397
local terms energy: -78.109616
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -9.027
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: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -229.051880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.051880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.051880 (E_RNA)
where:
Base-Base interactions energy: -146.768
where: short stacking energy: -69.486
Base-Backbone interact. energy: -0.230
local terms energy: -82.052988
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -9.723
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: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -210.875717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.875717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.875717 (E_RNA)
where:
Base-Base interactions energy: -130.692
where: short stacking energy: -56.837
Base-Backbone interact. energy: -0.132
local terms energy: -80.051806
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -215.732075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.732075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.732075 (E_RNA)
where:
Base-Base interactions energy: -133.675
where: short stacking energy: -56.180
Base-Backbone interact. energy: -0.124
local terms energy: -81.932603
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -15.580
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: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -104.795856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.795856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.795856 (E_RNA)
where:
Base-Base interactions energy: -43.552
where: short stacking energy: -40.526
Base-Backbone interact. energy: -0.155
local terms energy: -61.088593
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -7.099
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: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -95.745691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.745691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.745691 (E_RNA)
where:
Base-Base interactions energy: -34.551
where: short stacking energy: -34.551
Base-Backbone interact. energy: -0.013
local terms energy: -61.181631
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -3.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -82.438630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.438630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.438630 (E_RNA)
where:
Base-Base interactions energy: -29.988
where: short stacking energy: -28.495
Base-Backbone interact. energy: 2.574
local terms energy: -55.024765
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: 1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -288.865135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.865135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.865135 (E_RNA)
where:
Base-Base interactions energy: -186.236
where: short stacking energy: -88.419
Base-Backbone interact. energy: -0.016
local terms energy: -102.613362
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -29.684
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: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -287.533544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.533544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.533544 (E_RNA)
where:
Base-Base interactions energy: -189.963
where: short stacking energy: -85.517
Base-Backbone interact. energy: -0.091
local terms energy: -97.479890
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -276.589426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.589426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.589426 (E_RNA)
where:
Base-Base interactions energy: -195.963
where: short stacking energy: -72.629
Base-Backbone interact. energy: -0.253
local terms energy: -80.373754
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -8.660
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: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -289.457835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.457835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.457835 (E_RNA)
where:
Base-Base interactions energy: -195.422
where: short stacking energy: -84.492
Base-Backbone interact. energy: -0.078
local terms energy: -93.957990
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -27.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -214.009282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.009282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.009282 (E_RNA)
where:
Base-Base interactions energy: -142.266
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.242
local terms energy: -71.500522
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -17.718
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: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -214.577386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.577386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.577386 (E_RNA)
where:
Base-Base interactions energy: -140.808
where: short stacking energy: -51.543
Base-Backbone interact. energy: -0.543
local terms energy: -73.226095
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -190.313657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.313657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.313657 (E_RNA)
where:
Base-Base interactions energy: -114.096
where: short stacking energy: -59.977
Base-Backbone interact. energy: -0.044
local terms energy: -76.173678
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -11.536
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: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -100.896058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.896058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.896058 (E_RNA)
where:
Base-Base interactions energy: -39.712
where: short stacking energy: -29.762
Base-Backbone interact. energy: 0.041
local terms energy: -61.224732
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -98.235209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.235209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.235209 (E_RNA)
where:
Base-Base interactions energy: -40.733
where: short stacking energy: -36.502
Base-Backbone interact. energy: -0.605
local terms energy: -56.896944
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -94.262359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.262359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.262359 (E_RNA)
where:
Base-Base interactions energy: -37.012
where: short stacking energy: -28.986
Base-Backbone interact. energy: -0.039
local terms energy: -57.210838
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -298.135285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.135285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.135285 (E_RNA)
where:
Base-Base interactions energy: -200.457
where: short stacking energy: -86.761
Base-Backbone interact. energy: -0.473
local terms energy: -97.205674
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -14.342
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: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -282.872368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.872368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.872368 (E_RNA)
where:
Base-Base interactions energy: -192.564
where: short stacking energy: -78.076
Base-Backbone interact. energy: -0.227
local terms energy: -90.081181
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -26.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -284.844098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.844098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.844098 (E_RNA)
where:
Base-Base interactions energy: -194.703
where: short stacking energy: -82.991
Base-Backbone interact. energy: -0.041
local terms energy: -90.100332
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -280.179602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.179602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.179602 (E_RNA)
where:
Base-Base interactions energy: -191.763
where: short stacking energy: -83.756
Base-Backbone interact. energy: -0.045
local terms energy: -88.371886
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -23.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -234.584540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.584540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.584540 (E_RNA)
where:
Base-Base interactions energy: -166.030
where: short stacking energy: -57.200
Base-Backbone interact. energy: -0.119
local terms energy: -68.435653
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -215.822266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.822266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.822266 (E_RNA)
where:
Base-Base interactions energy: -138.034
where: short stacking energy: -58.956
Base-Backbone interact. energy: -0.064
local terms energy: -77.723697
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -15.891
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: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -212.240723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.240723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.240723 (E_RNA)
where:
Base-Base interactions energy: -146.575
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.101
local terms energy: -65.564570
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -101.212122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.212122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.212122 (E_RNA)
where:
Base-Base interactions energy: -43.602
where: short stacking energy: -37.110
Base-Backbone interact. energy: -0.235
local terms energy: -57.374606
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -4.706
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: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -95.867888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.867888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.867888 (E_RNA)
where:
Base-Base interactions energy: -33.732
where: short stacking energy: -33.634
Base-Backbone interact. energy: -1.009
local terms energy: -61.127015
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -88.566649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.566649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.566649 (E_RNA)
where:
Base-Base interactions energy: -30.252
where: short stacking energy: -30.252
Base-Backbone interact. energy: -0.301
local terms energy: -58.014035
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -303.247083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.247083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.247083 (E_RNA)
where:
Base-Base interactions energy: -202.892
where: short stacking energy: -86.501
Base-Backbone interact. energy: -0.840
local terms energy: -99.514687
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -26.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -284.671215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.671215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.671215 (E_RNA)
where:
Base-Base interactions energy: -190.992
where: short stacking energy: -75.294
Base-Backbone interact. energy: -0.269
local terms energy: -93.409815
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -22.746
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: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -288.178282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.178282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.178282 (E_RNA)
where:
Base-Base interactions energy: -195.111
where: short stacking energy: -87.658
Base-Backbone interact. energy: -0.106
local terms energy: -92.961309
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -27.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -254.123406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.123406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.123406 (E_RNA)
where:
Base-Base interactions energy: -174.963
where: short stacking energy: -66.483
Base-Backbone interact. energy: -0.255
local terms energy: -78.905619
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -230.951533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.951533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.951533 (E_RNA)
where:
Base-Base interactions energy: -151.273
where: short stacking energy: -63.688
Base-Backbone interact. energy: 0.308
local terms energy: -79.986375
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -251.615085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.615085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.615085 (E_RNA)
where:
Base-Base interactions energy: -175.055
where: short stacking energy: -66.245
Base-Backbone interact. energy: -0.024
local terms energy: -76.536322
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -213.433791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.433791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.433791 (E_RNA)
where:
Base-Base interactions energy: -146.795
where: short stacking energy: -65.449
Base-Backbone interact. energy: -0.830
local terms energy: -65.809678
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -111.979516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.979516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.979516 (E_RNA)
where:
Base-Base interactions energy: -45.114
where: short stacking energy: -40.445
Base-Backbone interact. energy: -0.360
local terms energy: -66.505338
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -5.995
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: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -95.533218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.533218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.533218 (E_RNA)
where:
Base-Base interactions energy: -41.031
where: short stacking energy: -29.978
Base-Backbone interact. energy: 0.729
local terms energy: -55.231571
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -93.451916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.451916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.451916 (E_RNA)
where:
Base-Base interactions energy: -36.972
where: short stacking energy: -36.972
Base-Backbone interact. energy: -0.229
local terms energy: -56.250609
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -2.326
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: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -285.099092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.099092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.099092 (E_RNA)
where:
Base-Base interactions energy: -195.118
where: short stacking energy: -82.353
Base-Backbone interact. energy: -0.941
local terms energy: -89.039874
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -22.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -296.580217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.580217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.580217 (E_RNA)
where:
Base-Base interactions energy: -208.578
where: short stacking energy: -76.347
Base-Backbone interact. energy: -0.231
local terms energy: -87.771465
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -280.581823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.581823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.581823 (E_RNA)
where:
Base-Base interactions energy: -188.835
where: short stacking energy: -74.532
Base-Backbone interact. energy: -0.110
local terms energy: -91.636641
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -14.076
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: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -250.024293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.024293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.024293 (E_RNA)
where:
Base-Base interactions energy: -164.697
where: short stacking energy: -62.340
Base-Backbone interact. energy: -0.085
local terms energy: -85.241945
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -239.059491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.059491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.059491 (E_RNA)
where:
Base-Base interactions energy: -149.553
where: short stacking energy: -70.991
Base-Backbone interact. energy: -0.025
local terms energy: -89.481623
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -11.786
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: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -264.350828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.350828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.350828 (E_RNA)
where:
Base-Base interactions energy: -183.814
where: short stacking energy: -72.023
Base-Backbone interact. energy: -0.164
local terms energy: -80.373455
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -6.819
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: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -208.397864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.397864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.397864 (E_RNA)
where:
Base-Base interactions energy: -135.371
where: short stacking energy: -57.370
Base-Backbone interact. energy: -0.104
local terms energy: -72.923323
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -10.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -108.550372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.550372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.550372 (E_RNA)
where:
Base-Base interactions energy: -49.835
where: short stacking energy: -35.379
Base-Backbone interact. energy: -0.634
local terms energy: -58.081497
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -9.169
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: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -126.184920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.184920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.184920 (E_RNA)
where:
Base-Base interactions energy: -60.643
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.325
local terms energy: -65.216109
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -88.149140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.149140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.149140 (E_RNA)
where:
Base-Base interactions energy: -27.096
where: short stacking energy: -25.631
Base-Backbone interact. energy: -0.190
local terms energy: -60.863349
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -3.412
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: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -303.166536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.166536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.166536 (E_RNA)
where:
Base-Base interactions energy: -200.956
where: short stacking energy: -82.177
Base-Backbone interact. energy: -0.300
local terms energy: -101.910496
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -24.157
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: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -282.011182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.011182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.011182 (E_RNA)
where:
Base-Base interactions energy: -188.326
where: short stacking energy: -84.365
Base-Backbone interact. energy: -0.048
local terms energy: -93.636477
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -273.961648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.961648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.961648 (E_RNA)
where:
Base-Base interactions energy: -183.811
where: short stacking energy: -70.604
Base-Backbone interact. energy: -0.051
local terms energy: -90.099563
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -25.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -253.460864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.460864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.460864 (E_RNA)
where:
Base-Base interactions energy: -168.998
where: short stacking energy: -68.018
Base-Backbone interact. energy: -0.151
local terms energy: -84.311756
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -13.945
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: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -223.880001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.880001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.880001 (E_RNA)
where:
Base-Base interactions energy: -140.846
where: short stacking energy: -58.211
Base-Backbone interact. energy: -0.606
local terms energy: -82.428129
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -213.471772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.471772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.471772 (E_RNA)
where:
Base-Base interactions energy: -134.828
where: short stacking energy: -55.825
Base-Backbone interact. energy: -1.436
local terms energy: -77.208140
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -206.380028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.380028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.380028 (E_RNA)
where:
Base-Base interactions energy: -143.710
where: short stacking energy: -66.593
Base-Backbone interact. energy: -0.194
local terms energy: -62.475861
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -4.453
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: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -91.724578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.724578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.724578 (E_RNA)
where:
Base-Base interactions energy: -43.412
where: short stacking energy: -30.188
Base-Backbone interact. energy: 1.804
local terms energy: -50.116095
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: 1.220
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: 9, replica: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -89.027297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.027297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.027297 (E_RNA)
where:
Base-Base interactions energy: -30.856
where: short stacking energy: -25.258
Base-Backbone interact. energy: -0.610
local terms energy: -57.561527
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: 3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -83.268357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.268357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.268357 (E_RNA)
where:
Base-Base interactions energy: -35.101
where: short stacking energy: -17.424
Base-Backbone interact. energy: -1.160
local terms energy: -47.007125
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: 5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -297.647248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.647248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.647248 (E_RNA)
where:
Base-Base interactions energy: -204.000
where: short stacking energy: -87.357
Base-Backbone interact. energy: -0.009
local terms energy: -93.638410
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -25.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -291.197381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.197381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.197381 (E_RNA)
where:
Base-Base interactions energy: -207.081
where: short stacking energy: -77.812
Base-Backbone interact. energy: -0.099
local terms energy: -84.017802
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -10.586
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: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -286.013392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.013392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.013392 (E_RNA)
where:
Base-Base interactions energy: -200.058
where: short stacking energy: -75.699
Base-Backbone interact. energy: -0.061
local terms energy: -85.894274
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -234.014972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.014972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.014972 (E_RNA)
where:
Base-Base interactions energy: -160.218
where: short stacking energy: -73.443
Base-Backbone interact. energy: -0.408
local terms energy: -73.388717
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -1.811
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: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -232.589507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.589507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.589507 (E_RNA)
where:
Base-Base interactions energy: -149.298
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.601
local terms energy: -82.690227
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -208.180047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.180047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.180047 (E_RNA)
where:
Base-Base interactions energy: -135.030
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.462
local terms energy: -72.688010
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -14.583
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: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -212.942859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.942859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.942859 (E_RNA)
where:
Base-Base interactions energy: -142.270
where: short stacking energy: -59.905
Base-Backbone interact. energy: 1.501
local terms energy: -72.173445
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -108.494470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.494470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.494470 (E_RNA)
where:
Base-Base interactions energy: -51.351
where: short stacking energy: -35.653
Base-Backbone interact. energy: 1.114
local terms energy: -58.257765
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -92.043977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.043977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.043977 (E_RNA)
where:
Base-Base interactions energy: -42.334
where: short stacking energy: -34.302
Base-Backbone interact. energy: -0.350
local terms energy: -49.359963
where:
bonds (distance) C4'-P energy: -9.120
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -84.430068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.430068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.430068 (E_RNA)
where:
Base-Base interactions energy: -26.988
where: short stacking energy: -26.988
Base-Backbone interact. energy: -0.259
local terms energy: -57.183003
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -1.142
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: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -295.000156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.000156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.000156 (E_RNA)
where:
Base-Base interactions energy: -197.392
where: short stacking energy: -80.417
Base-Backbone interact. energy: -0.294
local terms energy: -97.314502
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -12.828
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: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -283.385128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.385128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.385128 (E_RNA)
where:
Base-Base interactions energy: -198.981
where: short stacking energy: -82.717
Base-Backbone interact. energy: -0.113
local terms energy: -84.291875
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -8.034
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: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -283.587362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.587362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.587362 (E_RNA)
where:
Base-Base interactions energy: -192.839
where: short stacking energy: -76.161
Base-Backbone interact. energy: -0.567
local terms energy: -90.180550
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -23.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -260.346778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.346778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.346778 (E_RNA)
where:
Base-Base interactions energy: -176.709
where: short stacking energy: -70.680
Base-Backbone interact. energy: -0.015
local terms energy: -83.622905
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -22.205
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: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -229.831624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.831624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.831624 (E_RNA)
where:
Base-Base interactions energy: -147.223
where: short stacking energy: -69.760
Base-Backbone interact. energy: -0.007
local terms energy: -82.600818
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -208.170165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.170165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.170165 (E_RNA)
where:
Base-Base interactions energy: -135.368
where: short stacking energy: -55.264
Base-Backbone interact. energy: -0.565
local terms energy: -72.237235
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -17.310
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: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -207.003695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.003695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.003695 (E_RNA)
where:
Base-Base interactions energy: -137.493
where: short stacking energy: -64.264
Base-Backbone interact. energy: -0.064
local terms energy: -69.446394
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -19.023
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: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -102.633484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.633484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.633484 (E_RNA)
where:
Base-Base interactions energy: -49.126
where: short stacking energy: -31.894
Base-Backbone interact. energy: -0.170
local terms energy: -53.337319
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -7.320
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -100.204046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.204046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.204046 (E_RNA)
where:
Base-Base interactions energy: -42.446
where: short stacking energy: -26.258
Base-Backbone interact. energy: -0.025
local terms energy: -57.733191
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -2.702
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: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -100.801043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.801043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.801043 (E_RNA)
where:
Base-Base interactions energy: -42.646
where: short stacking energy: -35.354
Base-Backbone interact. energy: -0.229
local terms energy: -57.925818
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -290.883538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.883538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.883538 (E_RNA)
where:
Base-Base interactions energy: -203.015
where: short stacking energy: -81.610
Base-Backbone interact. energy: -0.040
local terms energy: -87.827744
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -9.790
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: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -290.275384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.275384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.275384 (E_RNA)
where:
Base-Base interactions energy: -192.696
where: short stacking energy: -79.772
Base-Backbone interact. energy: -0.203
local terms energy: -97.375866
where:
bonds (distance) C4'-P energy: -20.663
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -10.558
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: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -286.009979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.009979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.009979 (E_RNA)
where:
Base-Base interactions energy: -193.301
where: short stacking energy: -81.833
Base-Backbone interact. energy: -0.057
local terms energy: -92.651486
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -26.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -232.551961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.551961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.551961 (E_RNA)
where:
Base-Base interactions energy: -155.569
where: short stacking energy: -71.824
Base-Backbone interact. energy: -0.078
local terms energy: -76.904998
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -20.095
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: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -241.358509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.358509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.358509 (E_RNA)
where:
Base-Base interactions energy: -153.598
where: short stacking energy: -69.932
Base-Backbone interact. energy: -0.144
local terms energy: -87.616892
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -12.316
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: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -214.068478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.068478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.068478 (E_RNA)
where:
Base-Base interactions energy: -137.781
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.220
local terms energy: -76.067825
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -18.654
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: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -198.033590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.033590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.033590 (E_RNA)
where:
Base-Base interactions energy: -134.364
where: short stacking energy: -55.429
Base-Backbone interact. energy: -0.212
local terms energy: -63.457829
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -7.736
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: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -93.350336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.350336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.350336 (E_RNA)
where:
Base-Base interactions energy: -34.102
where: short stacking energy: -32.109
Base-Backbone interact. energy: -0.282
local terms energy: -58.965817
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -0.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -89.796016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.796016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.796016 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -22.697
Base-Backbone interact. energy: -0.157
local terms energy: -57.937098
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -91.164100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.164100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.164100 (E_RNA)
where:
Base-Base interactions energy: -31.995
where: short stacking energy: -29.473
Base-Backbone interact. energy: -0.455
local terms energy: -58.713740
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -290.636917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.636917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.636917 (E_RNA)
where:
Base-Base interactions energy: -189.217
where: short stacking energy: -73.386
Base-Backbone interact. energy: 0.076
local terms energy: -101.495350
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -27.069
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: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -294.145978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.145978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.145978 (E_RNA)
where:
Base-Base interactions energy: -203.205
where: short stacking energy: -86.309
Base-Backbone interact. energy: -0.024
local terms energy: -90.916756
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -21.307
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: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -286.511483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.511483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.511483 (E_RNA)
where:
Base-Base interactions energy: -188.485
where: short stacking energy: -79.570
Base-Backbone interact. energy: -0.004
local terms energy: -98.022847
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -14.736
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: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -227.676239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.676239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.676239 (E_RNA)
where:
Base-Base interactions energy: -143.458
where: short stacking energy: -68.906
Base-Backbone interact. energy: -0.091
local terms energy: -84.128033
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -251.443393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.443393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.443393 (E_RNA)
where:
Base-Base interactions energy: -161.423
where: short stacking energy: -57.847
Base-Backbone interact. energy: -0.600
local terms energy: -89.420969
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -15.979
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: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -223.647739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.647739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.647739 (E_RNA)
where:
Base-Base interactions energy: -143.479
where: short stacking energy: -68.594
Base-Backbone interact. energy: -0.008
local terms energy: -80.160498
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -196.112938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.112938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.112938 (E_RNA)
where:
Base-Base interactions energy: -116.064
where: short stacking energy: -55.539
Base-Backbone interact. energy: -0.477
local terms energy: -79.571544
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -100.807547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.807547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.807547 (E_RNA)
where:
Base-Base interactions energy: -34.637
where: short stacking energy: -32.717
Base-Backbone interact. energy: -0.679
local terms energy: -65.491042
where:
bonds (distance) C4'-P energy: -20.200
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: 2.060
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: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -96.919699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.919699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.919699 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -39.538
Base-Backbone interact. energy: -0.149
local terms energy: -57.232254
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -10.753
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: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -92.509121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.509121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.509121 (E_RNA)
where:
Base-Base interactions energy: -29.911
where: short stacking energy: -25.560
Base-Backbone interact. energy: -0.154
local terms energy: -62.443416
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -288.362212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.362212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.362212 (E_RNA)
where:
Base-Base interactions energy: -200.902
where: short stacking energy: -73.916
Base-Backbone interact. energy: 1.390
local terms energy: -88.849449
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -24.157
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: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -286.893791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.893791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.893791 (E_RNA)
where:
Base-Base interactions energy: -190.811
where: short stacking energy: -84.825
Base-Backbone interact. energy: -0.040
local terms energy: -96.042846
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -27.176
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: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -273.495894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.495894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.495894 (E_RNA)
where:
Base-Base interactions energy: -182.738
where: short stacking energy: -76.247
Base-Backbone interact. energy: -0.372
local terms energy: -90.385616
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -245.460588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.460588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.460588 (E_RNA)
where:
Base-Base interactions energy: -168.276
where: short stacking energy: -73.026
Base-Backbone interact. energy: -0.019
local terms energy: -77.165666
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -229.054627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.054627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.054627 (E_RNA)
where:
Base-Base interactions energy: -151.314
where: short stacking energy: -64.844
Base-Backbone interact. energy: 1.054
local terms energy: -78.794638
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -225.139767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.139767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.139767 (E_RNA)
where:
Base-Base interactions energy: -137.971
where: short stacking energy: -71.932
Base-Backbone interact. energy: -0.396
local terms energy: -86.773099
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -27.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -213.694558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.694558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.694558 (E_RNA)
where:
Base-Base interactions energy: -132.202
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.104
local terms energy: -81.389029
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -108.716271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.716271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.716271 (E_RNA)
where:
Base-Base interactions energy: -41.633
where: short stacking energy: -38.920
Base-Backbone interact. energy: 0.069
local terms energy: -67.152756
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -9.278
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: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -98.596387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.596387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.596387 (E_RNA)
where:
Base-Base interactions energy: -36.890
where: short stacking energy: -36.639
Base-Backbone interact. energy: -0.091
local terms energy: -61.615280
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -5.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -116.086117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.086117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.086117 (E_RNA)
where:
Base-Base interactions energy: -62.750
where: short stacking energy: -24.893
Base-Backbone interact. energy: 0.495
local terms energy: -53.830449
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: 0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -297.450556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.450556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.450556 (E_RNA)
where:
Base-Base interactions energy: -205.741
where: short stacking energy: -93.765
Base-Backbone interact. energy: -0.003
local terms energy: -91.706467
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -11.972
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: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -287.731712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.731712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.731712 (E_RNA)
where:
Base-Base interactions energy: -207.445
where: short stacking energy: -82.393
Base-Backbone interact. energy: -0.198
local terms energy: -80.088610
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -271.555259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.555259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.555259 (E_RNA)
where:
Base-Base interactions energy: -181.414
where: short stacking energy: -81.235
Base-Backbone interact. energy: -0.121
local terms energy: -90.020318
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -267.462770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.462770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.462770 (E_RNA)
where:
Base-Base interactions energy: -175.868
where: short stacking energy: -65.102
Base-Backbone interact. energy: -0.469
local terms energy: -91.126693
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -226.073899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.073899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.073899 (E_RNA)
where:
Base-Base interactions energy: -143.490
where: short stacking energy: -55.370
Base-Backbone interact. energy: -0.124
local terms energy: -82.459725
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -7.334
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: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -218.219866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.219866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.219866 (E_RNA)
where:
Base-Base interactions energy: -143.107
where: short stacking energy: -61.739
Base-Backbone interact. energy: -0.077
local terms energy: -75.035581
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -20.255
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: 76
Temperature: 1.200000
Total energy: -217.155979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.155979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.155979 (E_RNA)
where:
Base-Base interactions energy: -143.072
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.020
local terms energy: -74.063965
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -14.456
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: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -97.767766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.767766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.767766 (E_RNA)
where:
Base-Base interactions energy: -36.896
where: short stacking energy: -32.127
Base-Backbone interact. energy: 0.335
local terms energy: -61.206369
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -86.990964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.990964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.990964 (E_RNA)
where:
Base-Base interactions energy: -38.238
where: short stacking energy: -38.238
Base-Backbone interact. energy: -0.167
local terms energy: -48.586288
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -7.556
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: -5.168
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: 10, replica: 1
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -99.507419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.507419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.507419 (E_RNA)
where:
Base-Base interactions energy: -32.027
where: short stacking energy: -31.174
Base-Backbone interact. energy: -0.107
local terms energy: -67.373719
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -10.241
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: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -285.614122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.614122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.614122 (E_RNA)
where:
Base-Base interactions energy: -184.163
where: short stacking energy: -83.973
Base-Backbone interact. energy: -0.538
local terms energy: -100.913949
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -30.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -283.579953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.579953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.579953 (E_RNA)
where:
Base-Base interactions energy: -190.939
where: short stacking energy: -82.755
Base-Backbone interact. energy: -0.001
local terms energy: -92.639291
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -13.265
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: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -285.427446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.427446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.427446 (E_RNA)
where:
Base-Base interactions energy: -200.222
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.282
local terms energy: -84.923474
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -10.538
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: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -239.911526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.911526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.911526 (E_RNA)
where:
Base-Base interactions energy: -149.207
where: short stacking energy: -69.356
Base-Backbone interact. energy: -0.167
local terms energy: -90.538218
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -239.826870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.826870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.826870 (E_RNA)
where:
Base-Base interactions energy: -157.493
where: short stacking energy: -76.435
Base-Backbone interact. energy: 0.094
local terms energy: -82.427979
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -222.372703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.372703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.372703 (E_RNA)
where:
Base-Base interactions energy: -143.661
where: short stacking energy: -63.101
Base-Backbone interact. energy: -0.233
local terms energy: -78.478891
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -210.310527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.310527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.310527 (E_RNA)
where:
Base-Base interactions energy: -127.254
where: short stacking energy: -54.833
Base-Backbone interact. energy: 0.038
local terms energy: -83.094805
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -115.541586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.541586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.541586 (E_RNA)
where:
Base-Base interactions energy: -62.910
where: short stacking energy: -44.241
Base-Backbone interact. energy: 2.257
local terms energy: -54.888448
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -100.256985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.256985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.256985 (E_RNA)
where:
Base-Base interactions energy: -37.087
where: short stacking energy: -37.087
Base-Backbone interact. energy: -0.170
local terms energy: -62.999954
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -89.430567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.430567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.430567 (E_RNA)
where:
Base-Base interactions energy: -35.667
where: short stacking energy: -22.043
Base-Backbone interact. energy: 1.932
local terms energy: -55.695554
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: 2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -285.904911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.904911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.904911 (E_RNA)
where:
Base-Base interactions energy: -184.513
where: short stacking energy: -84.611
Base-Backbone interact. energy: -0.053
local terms energy: -101.338957
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -28.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -275.752066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.752066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.752066 (E_RNA)
where:
Base-Base interactions energy: -181.441
where: short stacking energy: -79.692
Base-Backbone interact. energy: -0.364
local terms energy: -93.947323
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -26.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -244.910981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.910981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.910981 (E_RNA)
where:
Base-Base interactions energy: -155.831
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.057
local terms energy: -89.022582
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -23.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -281.979505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.979505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.979505 (E_RNA)
where:
Base-Base interactions energy: -206.517
where: short stacking energy: -83.887
Base-Backbone interact. energy: 0.886
local terms energy: -76.348618
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -23.545
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: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -257.410742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.410742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.410742 (E_RNA)
where:
Base-Base interactions energy: -167.490
where: short stacking energy: -81.768
Base-Backbone interact. energy: -0.011
local terms energy: -89.909540
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -13.715
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: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -210.593108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.593108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.593108 (E_RNA)
where:
Base-Base interactions energy: -131.001
where: short stacking energy: -52.487
Base-Backbone interact. energy: -0.112
local terms energy: -79.480821
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.882
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: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -217.736794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.736794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.736794 (E_RNA)
where:
Base-Base interactions energy: -149.663
where: short stacking energy: -63.056
Base-Backbone interact. energy: 0.559
local terms energy: -68.632881
where:
bonds (distance) C4'-P energy: -7.787
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -12.932
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: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -89.247898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.247898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.247898 (E_RNA)
where:
Base-Base interactions energy: -31.386
where: short stacking energy: -31.386
Base-Backbone interact. energy: -1.014
local terms energy: -56.848358
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: 1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -104.179175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.179175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.179175 (E_RNA)
where:
Base-Base interactions energy: -46.393
where: short stacking energy: -30.278
Base-Backbone interact. energy: 1.065
local terms energy: -58.851159
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -94.690600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.690600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.690600 (E_RNA)
where:
Base-Base interactions energy: -36.926
where: short stacking energy: -33.545
Base-Backbone interact. energy: -0.232
local terms energy: -57.532827
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -289.012838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.012838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.012838 (E_RNA)
where:
Base-Base interactions energy: -192.527
where: short stacking energy: -80.139
Base-Backbone interact. energy: -0.119
local terms energy: -96.366612
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -13.743
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: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -283.018160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.018160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.018160 (E_RNA)
where:
Base-Base interactions energy: -186.614
where: short stacking energy: -87.255
Base-Backbone interact. energy: 0.040
local terms energy: -96.443562
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -17.628
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: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -238.451949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.451949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.451949 (E_RNA)
where:
Base-Base interactions energy: -150.897
where: short stacking energy: -69.107
Base-Backbone interact. energy: -0.619
local terms energy: -86.935866
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -271.961207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.961207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.961207 (E_RNA)
where:
Base-Base interactions energy: -187.295
where: short stacking energy: -77.243
Base-Backbone interact. energy: -0.101
local terms energy: -84.564630
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -18.989
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -22.340
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: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -263.553300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.553300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.553300 (E_RNA)
where:
Base-Base interactions energy: -173.757
where: short stacking energy: -74.091
Base-Backbone interact. energy: -0.052
local terms energy: -89.743864
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -218.110181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.110181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.110181 (E_RNA)
where:
Base-Base interactions energy: -135.254
where: short stacking energy: -66.934
Base-Backbone interact. energy: -0.055
local terms energy: -82.801892
where:
bonds (distance) C4'-P energy: -19.614
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -19.100
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: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -212.556945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.556945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.556945 (E_RNA)
where:
Base-Base interactions energy: -132.592
where: short stacking energy: -60.083
Base-Backbone interact. energy: -0.076
local terms energy: -79.888238
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -120.553243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.553243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.553243 (E_RNA)
where:
Base-Base interactions energy: -65.782
where: short stacking energy: -40.282
Base-Backbone interact. energy: 0.179
local terms energy: -54.950487
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -5.253
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: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -103.445706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.445706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.445706 (E_RNA)
where:
Base-Base interactions energy: -47.719
where: short stacking energy: -23.178
Base-Backbone interact. energy: 1.837
local terms energy: -57.564063
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -83.833906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.833906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.833906 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -29.890
Base-Backbone interact. energy: -0.133
local terms energy: -52.560843
where:
bonds (distance) C4'-P energy: -8.362
bonds (distance) P-C4' energy: -19.191
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -293.705355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.705355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.705355 (E_RNA)
where:
Base-Base interactions energy: -197.316
where: short stacking energy: -80.577
Base-Backbone interact. energy: 1.012
local terms energy: -97.401069
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -290.514116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.514116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.514116 (E_RNA)
where:
Base-Base interactions energy: -189.881
where: short stacking energy: -87.187
Base-Backbone interact. energy: -0.189
local terms energy: -100.443565
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -15.245
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: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -279.266653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.266653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.266653 (E_RNA)
where:
Base-Base interactions energy: -191.907
where: short stacking energy: -77.033
Base-Backbone interact. energy: -0.027
local terms energy: -87.332679
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -225.223786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.223786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.223786 (E_RNA)
where:
Base-Base interactions energy: -142.091
where: short stacking energy: -64.547
Base-Backbone interact. energy: -0.033
local terms energy: -83.100187
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -16.772
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: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -218.431457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.431457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.431457 (E_RNA)
where:
Base-Base interactions energy: -136.649
where: short stacking energy: -58.497
Base-Backbone interact. energy: -1.203
local terms energy: -80.578572
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -256.317671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.317671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.317671 (E_RNA)
where:
Base-Base interactions energy: -174.858
where: short stacking energy: -76.363
Base-Backbone interact. energy: -0.137
local terms energy: -81.322616
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -203.167670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.167670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.167670 (E_RNA)
where:
Base-Base interactions energy: -121.610
where: short stacking energy: -61.985
Base-Backbone interact. energy: -0.079
local terms energy: -81.478789
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -100.192396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.192396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.192396 (E_RNA)
where:
Base-Base interactions energy: -33.622
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.497
local terms energy: -66.073516
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -92.978310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.978310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.978310 (E_RNA)
where:
Base-Base interactions energy: -42.716
where: short stacking energy: -28.638
Base-Backbone interact. energy: -0.102
local terms energy: -50.159511
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: 0.425
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: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -92.145455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.145455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.145455 (E_RNA)
where:
Base-Base interactions energy: -31.896
where: short stacking energy: -25.741
Base-Backbone interact. energy: -0.487
local terms energy: -59.762241
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -11.210
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: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -293.185252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.185252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.185252 (E_RNA)
where:
Base-Base interactions energy: -195.864
where: short stacking energy: -85.413
Base-Backbone interact. energy: -0.160
local terms energy: -97.161220
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -22.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -289.576224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.576224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.576224 (E_RNA)
where:
Base-Base interactions energy: -193.868
where: short stacking energy: -83.637
Base-Backbone interact. energy: -0.015
local terms energy: -95.692307
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -16.737
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: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -268.454833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.454833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.454833 (E_RNA)
where:
Base-Base interactions energy: -185.902
where: short stacking energy: -65.787
Base-Backbone interact. energy: -0.234
local terms energy: -82.318505
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -18.786
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: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -242.189486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.189486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.189486 (E_RNA)
where:
Base-Base interactions energy: -157.438
where: short stacking energy: -73.511
Base-Backbone interact. energy: -0.112
local terms energy: -84.639060
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -18.593
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: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -228.535384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.535384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.535384 (E_RNA)
where:
Base-Base interactions energy: -144.812
where: short stacking energy: -68.657
Base-Backbone interact. energy: -0.100
local terms energy: -83.623238
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -21.148
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: 81
Temperature: 1.150000
Total energy: -244.602125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.602125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.602125 (E_RNA)
where:
Base-Base interactions energy: -166.434
where: short stacking energy: -77.137
Base-Backbone interact. energy: -0.359
local terms energy: -77.808754
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -212.008543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.008543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.008543 (E_RNA)
where:
Base-Base interactions energy: -139.900
where: short stacking energy: -63.725
Base-Backbone interact. energy: -0.078
local terms energy: -72.030983
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -90.992312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.992312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.992312 (E_RNA)
where:
Base-Base interactions energy: -39.696
where: short stacking energy: -36.486
Base-Backbone interact. energy: 0.645
local terms energy: -51.941213
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: 2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -95.524543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.524543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.524543 (E_RNA)
where:
Base-Base interactions energy: -27.978
where: short stacking energy: -27.396
Base-Backbone interact. energy: 0.925
local terms energy: -68.471865
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -4.888
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: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -98.996487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.996487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.996487 (E_RNA)
where:
Base-Base interactions energy: -34.230
where: short stacking energy: -32.854
Base-Backbone interact. energy: -0.213
local terms energy: -64.554090
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -290.947343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.947343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.947343 (E_RNA)
where:
Base-Base interactions energy: -198.190
where: short stacking energy: -88.540
Base-Backbone interact. energy: -0.079
local terms energy: -92.677804
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -22.562
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: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -290.984781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.984781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.984781 (E_RNA)
where:
Base-Base interactions energy: -197.659
where: short stacking energy: -88.726
Base-Backbone interact. energy: -0.105
local terms energy: -93.220603
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -26.257
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: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -276.954653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.954653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.954653 (E_RNA)
where:
Base-Base interactions energy: -191.415
where: short stacking energy: -68.553
Base-Backbone interact. energy: -0.237
local terms energy: -85.301956
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -246.714522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.714522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.714522 (E_RNA)
where:
Base-Base interactions energy: -156.157
where: short stacking energy: -74.464
Base-Backbone interact. energy: -0.309
local terms energy: -90.248833
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -24.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -243.549339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.549339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.549339 (E_RNA)
where:
Base-Base interactions energy: -157.938
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.411
local terms energy: -85.200641
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -13.372
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: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -207.031763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.031763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.031763 (E_RNA)
where:
Base-Base interactions energy: -120.459
where: short stacking energy: -57.832
Base-Backbone interact. energy: -0.261
local terms energy: -86.311866
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -17.677
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: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -107.531402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.531402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.531402 (E_RNA)
where:
Base-Base interactions energy: -44.650
where: short stacking energy: -41.966
Base-Backbone interact. energy: -0.015
local terms energy: -62.866129
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -209.370062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.370062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.370062 (E_RNA)
where:
Base-Base interactions energy: -131.027
where: short stacking energy: -53.879
Base-Backbone interact. energy: 0.536
local terms energy: -78.879145
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -100.261862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.261862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.261862 (E_RNA)
where:
Base-Base interactions energy: -43.103
where: short stacking energy: -17.943
Base-Backbone interact. energy: -0.222
local terms energy: -56.936310
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: 4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -105.784259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.784259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.784259 (E_RNA)
where:
Base-Base interactions energy: -42.438
where: short stacking energy: -42.438
Base-Backbone interact. energy: 4.478
local terms energy: -67.824225
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -283.617505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.617505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.617505 (E_RNA)
where:
Base-Base interactions energy: -186.225
where: short stacking energy: -85.428
Base-Backbone interact. energy: -0.002
local terms energy: -97.390839
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -26.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -277.918988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.918988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.918988 (E_RNA)
where:
Base-Base interactions energy: -186.533
where: short stacking energy: -76.181
Base-Backbone interact. energy: -0.071
local terms energy: -91.315501
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -272.463838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.463838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.463838 (E_RNA)
where:
Base-Base interactions energy: -182.757
where: short stacking energy: -70.453
Base-Backbone interact. energy: -0.430
local terms energy: -89.276858
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -22.527
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: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -248.591467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.591467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.591467 (E_RNA)
where:
Base-Base interactions energy: -154.917
where: short stacking energy: -70.623
Base-Backbone interact. energy: -0.021
local terms energy: -93.652986
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -262.286838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.286838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.286838 (E_RNA)
where:
Base-Base interactions energy: -176.406
where: short stacking energy: -75.050
Base-Backbone interact. energy: -0.103
local terms energy: -85.778007
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -216.810654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.810654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.810654 (E_RNA)
where:
Base-Base interactions energy: -140.537
where: short stacking energy: -62.346
Base-Backbone interact. energy: -0.108
local terms energy: -76.165643
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -16.428
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: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -109.040552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.040552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.040552 (E_RNA)
where:
Base-Base interactions energy: -38.509
where: short stacking energy: -37.739
Base-Backbone interact. energy: -0.898
local terms energy: -69.633089
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -8.519
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: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -201.512559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.512559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.512559 (E_RNA)
where:
Base-Base interactions energy: -126.265
where: short stacking energy: -50.650
Base-Backbone interact. energy: -0.105
local terms energy: -75.142462
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -106.755568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.755568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.755568 (E_RNA)
where:
Base-Base interactions energy: -43.470
where: short stacking energy: -32.597
Base-Backbone interact. energy: -0.224
local terms energy: -63.061026
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -3.661
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: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -88.119371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.119371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.119371 (E_RNA)
where:
Base-Base interactions energy: -29.159
where: short stacking energy: -22.072
Base-Backbone interact. energy: -0.087
local terms energy: -58.872778
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -285.939065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.939065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.939065 (E_RNA)
where:
Base-Base interactions energy: -195.805
where: short stacking energy: -83.063
Base-Backbone interact. energy: -0.070
local terms energy: -90.063905
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -21.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -284.756244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.756244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.756244 (E_RNA)
where:
Base-Base interactions energy: -182.572
where: short stacking energy: -83.137
Base-Backbone interact. energy: -0.004
local terms energy: -102.180846
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -28.185
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: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -285.139791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.139791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.139791 (E_RNA)
where:
Base-Base interactions energy: -191.096
where: short stacking energy: -79.768
Base-Backbone interact. energy: -0.223
local terms energy: -93.820148
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -228.198858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.198858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.198858 (E_RNA)
where:
Base-Base interactions energy: -147.379
where: short stacking energy: -64.692
Base-Backbone interact. energy: -0.474
local terms energy: -80.346036
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -9.345
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: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -271.344690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.344690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.344690 (E_RNA)
where:
Base-Base interactions energy: -194.560
where: short stacking energy: -79.473
Base-Backbone interact. energy: -0.106
local terms energy: -76.679273
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -7.706
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: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -219.659821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.659821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.659821 (E_RNA)
where:
Base-Base interactions energy: -148.123
where: short stacking energy: -67.159
Base-Backbone interact. energy: -0.002
local terms energy: -71.534947
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -12.135
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: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -208.525120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.525120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.525120 (E_RNA)
where:
Base-Base interactions energy: -132.945
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.069
local terms energy: -75.511722
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -101.830192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.830192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.830192 (E_RNA)
where:
Base-Base interactions energy: -45.846
where: short stacking energy: -32.856
Base-Backbone interact. energy: 1.506
local terms energy: -57.490494
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -95.888870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.888870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.888870 (E_RNA)
where:
Base-Base interactions energy: -37.711
where: short stacking energy: -21.728
Base-Backbone interact. energy: -0.135
local terms energy: -58.043113
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -89.004101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.004101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.004101 (E_RNA)
where:
Base-Base interactions energy: -22.037
where: short stacking energy: -22.037
Base-Backbone interact. energy: -0.436
local terms energy: -66.531318
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -288.457952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.457952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.457952 (E_RNA)
where:
Base-Base interactions energy: -193.859
where: short stacking energy: -79.904
Base-Backbone interact. energy: -0.192
local terms energy: -94.406484
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -15.650
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: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -283.419571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.419571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.419571 (E_RNA)
where:
Base-Base interactions energy: -199.836
where: short stacking energy: -80.747
Base-Backbone interact. energy: -0.055
local terms energy: -83.529383
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -12.415
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: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -267.389763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.389763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.389763 (E_RNA)
where:
Base-Base interactions energy: -183.744
where: short stacking energy: -77.606
Base-Backbone interact. energy: -0.225
local terms energy: -83.420799
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -23.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -252.421715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.421715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.421715 (E_RNA)
where:
Base-Base interactions energy: -163.864
where: short stacking energy: -66.136
Base-Backbone interact. energy: -0.179
local terms energy: -88.378836
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -225.781745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.781745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.781745 (E_RNA)
where:
Base-Base interactions energy: -136.617
where: short stacking energy: -60.467
Base-Backbone interact. energy: -0.048
local terms energy: -89.116828
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -222.336297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.336297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.336297 (E_RNA)
where:
Base-Base interactions energy: -151.360
where: short stacking energy: -55.676
Base-Backbone interact. energy: -0.299
local terms energy: -70.677142
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -14.364
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: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -183.585148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.585148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.585148 (E_RNA)
where:
Base-Base interactions energy: -118.840
where: short stacking energy: -43.002
Base-Backbone interact. energy: -0.267
local terms energy: -64.478334
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -102.221492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.221492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.221492 (E_RNA)
where:
Base-Base interactions energy: -40.362
where: short stacking energy: -28.782
Base-Backbone interact. energy: -1.134
local terms energy: -60.725928
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -91.878892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.878892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.878892 (E_RNA)
where:
Base-Base interactions energy: -32.596
where: short stacking energy: -31.885
Base-Backbone interact. energy: -0.128
local terms energy: -59.154798
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -83.914878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.914878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.914878 (E_RNA)
where:
Base-Base interactions energy: -24.858
where: short stacking energy: -24.858
Base-Backbone interact. energy: 0.229
local terms energy: -59.285756
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -294.804071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.804071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.804071 (E_RNA)
where:
Base-Base interactions energy: -201.065
where: short stacking energy: -76.511
Base-Backbone interact. energy: -0.103
local terms energy: -93.635673
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -288.164102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.164102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.164102 (E_RNA)
where:
Base-Base interactions energy: -192.387
where: short stacking energy: -86.701
Base-Backbone interact. energy: -0.096
local terms energy: -95.681039
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -21.760
flat angles P-C4'-P energy: -17.703
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: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -291.994001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.994001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.994001 (E_RNA)
where:
Base-Base interactions energy: -197.588
where: short stacking energy: -79.440
Base-Backbone interact. energy: -0.067
local terms energy: -94.339015
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -26.654
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: 86
Temperature: 1.050000
Total energy: -271.743462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.743462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.743462 (E_RNA)
where:
Base-Base interactions energy: -180.676
where: short stacking energy: -81.330
Base-Backbone interact. energy: -0.110
local terms energy: -90.956958
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -24.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -269.052083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.052083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.052083 (E_RNA)
where:
Base-Base interactions energy: -192.953
where: short stacking energy: -71.255
Base-Backbone interact. energy: 0.294
local terms energy: -76.392425
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -6.286
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: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -207.236289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.236289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.236289 (E_RNA)
where:
Base-Base interactions energy: -131.742
where: short stacking energy: -52.922
Base-Backbone interact. energy: -0.122
local terms energy: -75.372210
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -16.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -126.458099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.458099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.458099 (E_RNA)
where:
Base-Base interactions energy: -59.324
where: short stacking energy: -48.798
Base-Backbone interact. energy: -0.160
local terms energy: -66.974127
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -193.832898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.832898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.832898 (E_RNA)
where:
Base-Base interactions energy: -120.194
where: short stacking energy: -49.495
Base-Backbone interact. energy: -0.083
local terms energy: -73.556376
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -92.906881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.906881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.906881 (E_RNA)
where:
Base-Base interactions energy: -26.856
where: short stacking energy: -25.289
Base-Backbone interact. energy: -0.058
local terms energy: -65.992335
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -3.683
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: 10, replica: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -92.072668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.072668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.072668 (E_RNA)
where:
Base-Base interactions energy: -26.491
where: short stacking energy: -20.536
Base-Backbone interact. energy: -0.635
local terms energy: -64.946661
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -11.725
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: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -290.965775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.965775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.965775 (E_RNA)
where:
Base-Base interactions energy: -199.685
where: short stacking energy: -77.387
Base-Backbone interact. energy: -0.049
local terms energy: -91.231591
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -22.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -290.096838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.096838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.096838 (E_RNA)
where:
Base-Base interactions energy: -198.214
where: short stacking energy: -85.057
Base-Backbone interact. energy: -0.102
local terms energy: -91.780652
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -24.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -274.446087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.446087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.446087 (E_RNA)
where:
Base-Base interactions energy: -185.305
where: short stacking energy: -71.984
Base-Backbone interact. energy: -0.136
local terms energy: -89.005180
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -276.524714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.524714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.524714 (E_RNA)
where:
Base-Base interactions energy: -187.569
where: short stacking energy: -80.359
Base-Backbone interact. energy: 0.094
local terms energy: -89.049069
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -14.315
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: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -257.504874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.504874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.504874 (E_RNA)
where:
Base-Base interactions energy: -178.302
where: short stacking energy: -69.176
Base-Backbone interact. energy: -0.011
local terms energy: -79.191356
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -224.234048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.234048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.234048 (E_RNA)
where:
Base-Base interactions energy: -148.072
where: short stacking energy: -63.773
Base-Backbone interact. energy: -0.007
local terms energy: -76.154754
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -117.526041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.526041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.526041 (E_RNA)
where:
Base-Base interactions energy: -49.210
where: short stacking energy: -38.601
Base-Backbone interact. energy: -0.178
local terms energy: -68.137364
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -214.489006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.489006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.489006 (E_RNA)
where:
Base-Base interactions energy: -133.780
where: short stacking energy: -59.920
Base-Backbone interact. energy: -0.057
local terms energy: -80.651745
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -92.549383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.549383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.549383 (E_RNA)
where:
Base-Base interactions energy: -26.829
where: short stacking energy: -23.564
Base-Backbone interact. energy: 2.539
local terms energy: -68.259292
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -84.881400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.881400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.881400 (E_RNA)
where:
Base-Base interactions energy: -22.874
where: short stacking energy: -21.533
Base-Backbone interact. energy: -0.008
local terms energy: -61.999755
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -13.548
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: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -291.152570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.152570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.152570 (E_RNA)
where:
Base-Base interactions energy: -192.051
where: short stacking energy: -86.042
Base-Backbone interact. energy: -0.467
local terms energy: -98.634588
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -24.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -284.255865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.255865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.255865 (E_RNA)
where:
Base-Base interactions energy: -203.404
where: short stacking energy: -79.703
Base-Backbone interact. energy: -0.164
local terms energy: -80.687852
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -23.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -279.871391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.871391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.871391 (E_RNA)
where:
Base-Base interactions energy: -186.422
where: short stacking energy: -81.352
Base-Backbone interact. energy: -1.315
local terms energy: -92.133701
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -13.277
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: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -279.850669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.850669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.850669 (E_RNA)
where:
Base-Base interactions energy: -199.662
where: short stacking energy: -74.707
Base-Backbone interact. energy: -0.221
local terms energy: -79.968072
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -15.524
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: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -221.131664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.131664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.131664 (E_RNA)
where:
Base-Base interactions energy: -142.558
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.054
local terms energy: -78.519624
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -23.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -233.351415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.351415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.351415 (E_RNA)
where:
Base-Base interactions energy: -156.068
where: short stacking energy: -62.600
Base-Backbone interact. energy: -0.129
local terms energy: -77.154432
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -200.557622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.557622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.557622 (E_RNA)
where:
Base-Base interactions energy: -124.124
where: short stacking energy: -51.571
Base-Backbone interact. energy: -0.727
local terms energy: -75.706296
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -10.580
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: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -103.865440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.865440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.865440 (E_RNA)
where:
Base-Base interactions energy: -47.958
where: short stacking energy: -22.997
Base-Backbone interact. energy: -0.443
local terms energy: -55.464587
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: 2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -85.193799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.193799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.193799 (E_RNA)
where:
Base-Base interactions energy: -25.974
where: short stacking energy: -25.974
Base-Backbone interact. energy: -0.292
local terms energy: -58.928216
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -94.133457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.133457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.133457 (E_RNA)
where:
Base-Base interactions energy: -33.800
where: short stacking energy: -27.642
Base-Backbone interact. energy: 0.368
local terms energy: -60.701410
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -4.379
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: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -302.593646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.593646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.593646 (E_RNA)
where:
Base-Base interactions energy: -206.625
where: short stacking energy: -88.464
Base-Backbone interact. energy: -2.038
local terms energy: -93.930473
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -26.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -282.556238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.556238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.556238 (E_RNA)
where:
Base-Base interactions energy: -195.920
where: short stacking energy: -77.651
Base-Backbone interact. energy: -0.406
local terms energy: -86.229669
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -7.042
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: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -275.836197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.836197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.836197 (E_RNA)
where:
Base-Base interactions energy: -187.782
where: short stacking energy: -73.686
Base-Backbone interact. energy: -0.114
local terms energy: -87.940166
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -273.197591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.197591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.197591 (E_RNA)
where:
Base-Base interactions energy: -174.373
where: short stacking energy: -84.272
Base-Backbone interact. energy: -0.011
local terms energy: -98.812990
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -26.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -220.726607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.726607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.726607 (E_RNA)
where:
Base-Base interactions energy: -141.913
where: short stacking energy: -63.603
Base-Backbone interact. energy: -0.705
local terms energy: -78.109068
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -210.040509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.040509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.040509 (E_RNA)
where:
Base-Base interactions energy: -140.469
where: short stacking energy: -64.046
Base-Backbone interact. energy: -0.074
local terms energy: -69.498241
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -207.582732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.582732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.582732 (E_RNA)
where:
Base-Base interactions energy: -132.666
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.039
local terms energy: -74.877744
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -96.112448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.112448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.112448 (E_RNA)
where:
Base-Base interactions energy: -40.164
where: short stacking energy: -29.076
Base-Backbone interact. energy: 3.670
local terms energy: -59.619132
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -2.232
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: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -92.691625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.691625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.691625 (E_RNA)
where:
Base-Base interactions energy: -27.637
where: short stacking energy: -16.951
Base-Backbone interact. energy: -0.292
local terms energy: -64.762629
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -4.176
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: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -90.190625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.190625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.190625 (E_RNA)
where:
Base-Base interactions energy: -34.774
where: short stacking energy: -20.337
Base-Backbone interact. energy: -0.112
local terms energy: -55.304639
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: 1.096
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: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -299.900013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.900013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.900013 (E_RNA)
where:
Base-Base interactions energy: -200.431
where: short stacking energy: -78.559
Base-Backbone interact. energy: -0.097
local terms energy: -99.372145
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -24.852
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: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -290.934560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.934560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.934560 (E_RNA)
where:
Base-Base interactions energy: -200.559
where: short stacking energy: -68.722
Base-Backbone interact. energy: 0.970
local terms energy: -91.345361
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -14.830
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: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -279.226723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.226723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.226723 (E_RNA)
where:
Base-Base interactions energy: -188.188
where: short stacking energy: -89.439
Base-Backbone interact. energy: -0.015
local terms energy: -91.024202
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -28.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -266.221388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.221388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.221388 (E_RNA)
where:
Base-Base interactions energy: -173.777
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.156
local terms energy: -92.288372
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -212.059676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.059676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.059676 (E_RNA)
where:
Base-Base interactions energy: -137.535
where: short stacking energy: -57.916
Base-Backbone interact. energy: -0.063
local terms energy: -74.461060
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -13.118
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: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -223.197653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.197653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.197653 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -58.817
Base-Backbone interact. energy: -0.034
local terms energy: -81.500266
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -196.521626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.521626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.521626 (E_RNA)
where:
Base-Base interactions energy: -123.736
where: short stacking energy: -50.682
Base-Backbone interact. energy: -0.117
local terms energy: -72.669270
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -10.986
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: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -100.370002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.370002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.370002 (E_RNA)
where:
Base-Base interactions energy: -43.594
where: short stacking energy: -17.184
Base-Backbone interact. energy: -1.297
local terms energy: -55.478923
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: 2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -100.399001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.399001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.399001 (E_RNA)
where:
Base-Base interactions energy: -43.167
where: short stacking energy: -39.788
Base-Backbone interact. energy: 0.562
local terms energy: -57.793663
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -92.467226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.467226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.467226 (E_RNA)
where:
Base-Base interactions energy: -26.926
where: short stacking energy: -27.389
Base-Backbone interact. energy: -1.551
local terms energy: -63.989804
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -291.077499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.077499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.077499 (E_RNA)
where:
Base-Base interactions energy: -200.602
where: short stacking energy: -75.527
Base-Backbone interact. energy: -0.104
local terms energy: -90.371581
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -20.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -281.924978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.924978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.924978 (E_RNA)
where:
Base-Base interactions energy: -189.055
where: short stacking energy: -94.588
Base-Backbone interact. energy: -0.009
local terms energy: -92.861474
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -24.042
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: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -282.213473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.213473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.213473 (E_RNA)
where:
Base-Base interactions energy: -190.860
where: short stacking energy: -71.725
Base-Backbone interact. energy: -0.203
local terms energy: -91.150307
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -275.337308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.337308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.337308 (E_RNA)
where:
Base-Base interactions energy: -184.363
where: short stacking energy: -86.714
Base-Backbone interact. energy: -0.004
local terms energy: -90.971013
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -25.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -186.116225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.116225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.116225 (E_RNA)
where:
Base-Base interactions energy: -110.124
where: short stacking energy: -49.510
Base-Backbone interact. energy: 0.074
local terms energy: -76.065948
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -208.767442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.767442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.767442 (E_RNA)
where:
Base-Base interactions energy: -127.461
where: short stacking energy: -67.095
Base-Backbone interact. energy: -0.102
local terms energy: -81.203876
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -10.686
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: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -203.970686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.970686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.970686 (E_RNA)
where:
Base-Base interactions energy: -125.047
where: short stacking energy: -50.559
Base-Backbone interact. energy: -0.191
local terms energy: -78.733600
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -92.875273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.875273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.875273 (E_RNA)
where:
Base-Base interactions energy: -30.561
where: short stacking energy: -26.300
Base-Backbone interact. energy: -0.123
local terms energy: -62.191640
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -89.635357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.635357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.635357 (E_RNA)
where:
Base-Base interactions energy: -34.740
where: short stacking energy: -29.825
Base-Backbone interact. energy: -0.280
local terms energy: -54.615018
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: 0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -97.267552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.267552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.267552 (E_RNA)
where:
Base-Base interactions energy: -30.151
where: short stacking energy: -16.306
Base-Backbone interact. energy: -0.338
local terms energy: -66.779019
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -293.100110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.100110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.100110 (E_RNA)
where:
Base-Base interactions energy: -199.543
where: short stacking energy: -84.302
Base-Backbone interact. energy: 0.399
local terms energy: -93.955456
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -23.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -295.521796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.521796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.521796 (E_RNA)
where:
Base-Base interactions energy: -196.342
where: short stacking energy: -83.993
Base-Backbone interact. energy: -0.083
local terms energy: -99.097117
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -27.021
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: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -276.081872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.081872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.081872 (E_RNA)
where:
Base-Base interactions energy: -197.192
where: short stacking energy: -85.768
Base-Backbone interact. energy: -0.106
local terms energy: -78.784341
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -281.525781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.525781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.525781 (E_RNA)
where:
Base-Base interactions energy: -199.788
where: short stacking energy: -75.102
Base-Backbone interact. energy: -0.198
local terms energy: -81.539560
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -26.370
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: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -226.003383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.003383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.003383 (E_RNA)
where:
Base-Base interactions energy: -140.240
where: short stacking energy: -62.133
Base-Backbone interact. energy: -0.007
local terms energy: -85.755996
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -186.250296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.250296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.250296 (E_RNA)
where:
Base-Base interactions energy: -113.289
where: short stacking energy: -49.797
Base-Backbone interact. energy: -0.207
local terms energy: -72.754959
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -10.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -204.433423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.433423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.433423 (E_RNA)
where:
Base-Base interactions energy: -135.857
where: short stacking energy: -59.110
Base-Backbone interact. energy: 0.476
local terms energy: -69.052005
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -102.517911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.517911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.517911 (E_RNA)
where:
Base-Base interactions energy: -35.858
where: short stacking energy: -32.424
Base-Backbone interact. energy: -0.588
local terms energy: -66.071995
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -91.801237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.801237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.801237 (E_RNA)
where:
Base-Base interactions energy: -31.671
where: short stacking energy: -31.671
Base-Backbone interact. energy: 0.417
local terms energy: -60.547396
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -93.995023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.995023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.995023 (E_RNA)
where:
Base-Base interactions energy: -34.026
where: short stacking energy: -34.026
Base-Backbone interact. energy: -0.088
local terms energy: -59.880892
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -300.412636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.412636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.412636 (E_RNA)
where:
Base-Base interactions energy: -208.852
where: short stacking energy: -90.492
Base-Backbone interact. energy: 0.520
local terms energy: -92.080013
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -21.781
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: 93
Temperature: 0.950000
Total energy: -283.482714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.482714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.482714 (E_RNA)
where:
Base-Base interactions energy: -190.287
where: short stacking energy: -76.915
Base-Backbone interact. energy: -0.304
local terms energy: -92.891779
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -278.577971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.577971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.577971 (E_RNA)
where:
Base-Base interactions energy: -187.097
where: short stacking energy: -93.964
Base-Backbone interact. energy: -0.002
local terms energy: -91.478561
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -27.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -276.710903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.710903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.710903 (E_RNA)
where:
Base-Base interactions energy: -194.423
where: short stacking energy: -73.875
Base-Backbone interact. energy: -0.334
local terms energy: -81.953510
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -214.673057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.673057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.673057 (E_RNA)
where:
Base-Base interactions energy: -133.539
where: short stacking energy: -64.892
Base-Backbone interact. energy: -0.072
local terms energy: -81.061998
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -208.953799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.953799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.953799 (E_RNA)
where:
Base-Base interactions energy: -129.726
where: short stacking energy: -59.419
Base-Backbone interact. energy: -0.978
local terms energy: -78.250083
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -18.215
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: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -182.282679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.282679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.282679 (E_RNA)
where:
Base-Base interactions energy: -112.782
where: short stacking energy: -54.389
Base-Backbone interact. energy: -0.181
local terms energy: -69.320030
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -10.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -108.880986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.880986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.880986 (E_RNA)
where:
Base-Base interactions energy: -48.260
where: short stacking energy: -33.315
Base-Backbone interact. energy: -0.248
local terms energy: -60.372437
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -6.834
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: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -83.813332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.813332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.813332 (E_RNA)
where:
Base-Base interactions energy: -35.491
where: short stacking energy: -22.320
Base-Backbone interact. energy: 0.313
local terms energy: -48.635619
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: 2.352
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: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -93.067794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.067794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.067794 (E_RNA)
where:
Base-Base interactions energy: -39.329
where: short stacking energy: -34.645
Base-Backbone interact. energy: 2.551
local terms energy: -56.289835
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -292.597308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.597308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.597308 (E_RNA)
where:
Base-Base interactions energy: -202.542
where: short stacking energy: -88.579
Base-Backbone interact. energy: -0.092
local terms energy: -89.963435
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -22.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -293.882455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.882455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.882455 (E_RNA)
where:
Base-Base interactions energy: -202.868
where: short stacking energy: -82.416
Base-Backbone interact. energy: -0.104
local terms energy: -90.910668
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -23.255
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: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -277.764087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.764087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.764087 (E_RNA)
where:
Base-Base interactions energy: -192.606
where: short stacking energy: -68.996
Base-Backbone interact. energy: -0.157
local terms energy: -85.000846
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -25.380
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: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -267.558114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.558114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.558114 (E_RNA)
where:
Base-Base interactions energy: -180.434
where: short stacking energy: -86.022
Base-Backbone interact. energy: 1.213
local terms energy: -88.337656
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -24.564
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: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -233.771655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.771655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.771655 (E_RNA)
where:
Base-Base interactions energy: -146.480
where: short stacking energy: -77.030
Base-Backbone interact. energy: -0.544
local terms energy: -86.747781
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -8.914
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: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -210.775851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.775851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.775851 (E_RNA)
where:
Base-Base interactions energy: -138.249
where: short stacking energy: -54.138
Base-Backbone interact. energy: -1.438
local terms energy: -71.088732
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -14.180
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: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -158.766091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.766091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.766091 (E_RNA)
where:
Base-Base interactions energy: -91.629
where: short stacking energy: -43.625
Base-Backbone interact. energy: 0.413
local terms energy: -67.550045
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -111.867684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.867684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.867684 (E_RNA)
where:
Base-Base interactions energy: -42.486
where: short stacking energy: -39.874
Base-Backbone interact. energy: -0.554
local terms energy: -68.828516
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -99.893593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.893593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.893593 (E_RNA)
where:
Base-Base interactions energy: -34.099
where: short stacking energy: -34.018
Base-Backbone interact. energy: -0.206
local terms energy: -65.588522
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -6.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -85.293672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.293672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.293672 (E_RNA)
where:
Base-Base interactions energy: -32.010
where: short stacking energy: -24.815
Base-Backbone interact. energy: 2.479
local terms energy: -55.762745
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: 0.653
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: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -291.023381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.023381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.023381 (E_RNA)
where:
Base-Base interactions energy: -197.465
where: short stacking energy: -83.911
Base-Backbone interact. energy: -0.091
local terms energy: -93.466639
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -13.381
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: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -288.305228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.305228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.305228 (E_RNA)
where:
Base-Base interactions energy: -206.804
where: short stacking energy: -83.781
Base-Backbone interact. energy: -0.001
local terms energy: -81.499984
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -278.790331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.790331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.790331 (E_RNA)
where:
Base-Base interactions energy: -190.355
where: short stacking energy: -80.422
Base-Backbone interact. energy: -0.109
local terms energy: -88.325540
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -21.615
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: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -285.946305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.946305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.946305 (E_RNA)
where:
Base-Base interactions energy: -199.441
where: short stacking energy: -85.828
Base-Backbone interact. energy: -0.086
local terms energy: -86.419811
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -226.801656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.801656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.801656 (E_RNA)
where:
Base-Base interactions energy: -149.537
where: short stacking energy: -62.399
Base-Backbone interact. energy: -0.207
local terms energy: -77.057929
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -214.620080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.620080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.620080 (E_RNA)
where:
Base-Base interactions energy: -134.878
where: short stacking energy: -58.597
Base-Backbone interact. energy: 0.006
local terms energy: -79.748048
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -102.714674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.714674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.714674 (E_RNA)
where:
Base-Base interactions energy: -41.933
where: short stacking energy: -36.864
Base-Backbone interact. energy: -0.333
local terms energy: -60.448198
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -6.491
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: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -109.304101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.304101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.304101 (E_RNA)
where:
Base-Base interactions energy: -44.330
where: short stacking energy: -37.218
Base-Backbone interact. energy: -0.120
local terms energy: -64.853979
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -10.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -92.936571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.936571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.936571 (E_RNA)
where:
Base-Base interactions energy: -45.635
where: short stacking energy: -28.521
Base-Backbone interact. energy: -1.307
local terms energy: -45.994284
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: 1.039
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: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -95.995134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.995134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.995134 (E_RNA)
where:
Base-Base interactions energy: -47.341
where: short stacking energy: -17.815
Base-Backbone interact. energy: 0.394
local terms energy: -49.047512
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: 1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -300.986448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.986448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.986448 (E_RNA)
where:
Base-Base interactions energy: -202.621
where: short stacking energy: -81.555
Base-Backbone interact. energy: -0.384
local terms energy: -97.981948
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -26.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -289.089229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.089229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.089229 (E_RNA)
where:
Base-Base interactions energy: -198.043
where: short stacking energy: -76.061
Base-Backbone interact. energy: 2.212
local terms energy: -93.257908
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -22.145
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: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -280.582829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.582829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.582829 (E_RNA)
where:
Base-Base interactions energy: -194.773
where: short stacking energy: -82.411
Base-Backbone interact. energy: -0.171
local terms energy: -85.638588
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -9.042
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: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -247.158946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.158946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.158946 (E_RNA)
where:
Base-Base interactions energy: -165.794
where: short stacking energy: -72.910
Base-Backbone interact. energy: -0.068
local terms energy: -81.297368
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -229.390881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.390881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.390881 (E_RNA)
where:
Base-Base interactions energy: -147.108
where: short stacking energy: -68.242
Base-Backbone interact. energy: -0.003
local terms energy: -82.280487
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -19.517
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: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -221.499246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.499246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.499246 (E_RNA)
where:
Base-Base interactions energy: -149.266
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.283
local terms energy: -71.950353
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -104.753639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.753639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.753639 (E_RNA)
where:
Base-Base interactions energy: -42.679
where: short stacking energy: -42.679
Base-Backbone interact. energy: -0.054
local terms energy: -62.021380
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -95.397076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.397076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.397076 (E_RNA)
where:
Base-Base interactions energy: -32.488
where: short stacking energy: -32.488
Base-Backbone interact. energy: -0.113
local terms energy: -62.795739
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -10.162
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: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -91.069194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.069194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.069194 (E_RNA)
where:
Base-Base interactions energy: -34.474
where: short stacking energy: -31.116
Base-Backbone interact. energy: -0.299
local terms energy: -56.295975
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -4.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -100.096033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.096033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.096033 (E_RNA)
where:
Base-Base interactions energy: -36.015
where: short stacking energy: -30.560
Base-Backbone interact. energy: -0.080
local terms energy: -64.000744
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -299.728169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.728169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.728169 (E_RNA)
where:
Base-Base interactions energy: -198.539
where: short stacking energy: -81.538
Base-Backbone interact. energy: -0.097
local terms energy: -101.093112
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -24.928
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: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -283.448029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.448029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.448029 (E_RNA)
where:
Base-Base interactions energy: -193.509
where: short stacking energy: -84.763
Base-Backbone interact. energy: 0.408
local terms energy: -90.347356
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -271.231437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.231437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.231437 (E_RNA)
where:
Base-Base interactions energy: -192.660
where: short stacking energy: -71.295
Base-Backbone interact. energy: -0.077
local terms energy: -78.494554
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -19.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -237.443907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.443907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.443907 (E_RNA)
where:
Base-Base interactions energy: -150.553
where: short stacking energy: -72.760
Base-Backbone interact. energy: -0.126
local terms energy: -86.764520
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -225.710830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.710830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.710830 (E_RNA)
where:
Base-Base interactions energy: -144.520
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.344
local terms energy: -80.846999
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -208.447528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.447528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.447528 (E_RNA)
where:
Base-Base interactions energy: -121.027
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.328
local terms energy: -87.092656
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -14.346
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: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -99.846744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.846744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.846744 (E_RNA)
where:
Base-Base interactions energy: -35.643
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.106
local terms energy: -64.097878
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -100.890067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.890067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.890067 (E_RNA)
where:
Base-Base interactions energy: -34.198
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.201
local terms energy: -66.491079
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -6.987
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: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -92.104423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.104423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.104423 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -26.749
Base-Backbone interact. energy: -0.688
local terms energy: -55.892866
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -0.702
tors. eta vs tors. theta energy: -4.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -90.753923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.753923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.753923 (E_RNA)
where:
Base-Base interactions energy: -37.540
where: short stacking energy: -30.293
Base-Backbone interact. energy: -0.196
local terms energy: -53.018062
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -291.976174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.976174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.976174 (E_RNA)
where:
Base-Base interactions energy: -198.276
where: short stacking energy: -87.066
Base-Backbone interact. energy: -0.015
local terms energy: -93.684331
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -24.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -294.693663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.693663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.693663 (E_RNA)
where:
Base-Base interactions energy: -196.948
where: short stacking energy: -85.889
Base-Backbone interact. energy: -0.051
local terms energy: -97.693845
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -13.116
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: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -281.403598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.403598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.403598 (E_RNA)
where:
Base-Base interactions energy: -197.985
where: short stacking energy: -77.739
Base-Backbone interact. energy: 0.031
local terms energy: -83.449265
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -229.549485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.549485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.549485 (E_RNA)
where:
Base-Base interactions energy: -144.952
where: short stacking energy: -65.826
Base-Backbone interact. energy: -0.001
local terms energy: -84.595937
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -21.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -212.387283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.387283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.387283 (E_RNA)
where:
Base-Base interactions energy: -126.533
where: short stacking energy: -54.142
Base-Backbone interact. energy: -0.082
local terms energy: -85.772099
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -18.525
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: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -232.376705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.376705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.376705 (E_RNA)
where:
Base-Base interactions energy: -151.338
where: short stacking energy: -64.854
Base-Backbone interact. energy: 1.383
local terms energy: -82.421651
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -107.791075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.791075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.791075 (E_RNA)
where:
Base-Base interactions energy: -31.747
where: short stacking energy: -30.504
Base-Backbone interact. energy: -0.230
local terms energy: -75.814625
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -11.363
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: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -93.736124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.736124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.736124 (E_RNA)
where:
Base-Base interactions energy: -27.327
where: short stacking energy: -27.327
Base-Backbone interact. energy: -0.190
local terms energy: -66.218294
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -97.661162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.661162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.661162 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -19.477
Base-Backbone interact. energy: -0.248
local terms energy: -65.481197
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -96.533454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.533454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.533454 (E_RNA)
where:
Base-Base interactions energy: -36.206
where: short stacking energy: -19.970
Base-Backbone interact. energy: 1.361
local terms energy: -61.687995
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -0.278
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: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -290.681519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.681519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.681519 (E_RNA)
where:
Base-Base interactions energy: -195.592
where: short stacking energy: -92.166
Base-Backbone interact. energy: -0.003
local terms energy: -95.086845
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -279.731594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.731594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.731594 (E_RNA)
where:
Base-Base interactions energy: -187.002
where: short stacking energy: -75.067
Base-Backbone interact. energy: -0.071
local terms energy: -92.658794
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -22.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -272.415401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.415401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.415401 (E_RNA)
where:
Base-Base interactions energy: -188.037
where: short stacking energy: -70.127
Base-Backbone interact. energy: -0.188
local terms energy: -84.189870
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -234.684196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.684196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.684196 (E_RNA)
where:
Base-Base interactions energy: -156.290
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.477
local terms energy: -77.916977
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -232.894808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.894808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.894808 (E_RNA)
where:
Base-Base interactions energy: -151.996
where: short stacking energy: -77.014
Base-Backbone interact. energy: -0.060
local terms energy: -80.839092
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -24.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -243.953000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.953000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.953000 (E_RNA)
where:
Base-Base interactions energy: -163.324
where: short stacking energy: -67.056
Base-Backbone interact. energy: -0.088
local terms energy: -80.540592
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -106.555165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.555165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.555165 (E_RNA)
where:
Base-Base interactions energy: -43.789
where: short stacking energy: -38.847
Base-Backbone interact. energy: -0.684
local terms energy: -62.082538
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -3.303
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: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -101.501569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.501569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.501569 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -31.648
Base-Backbone interact. energy: -0.157
local terms energy: -69.696585
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -8.250
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: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -89.685263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.685263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.685263 (E_RNA)
where:
Base-Base interactions energy: -46.025
where: short stacking energy: -26.171
Base-Backbone interact. energy: -0.427
local terms energy: -43.232688
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: 7.166
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: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -88.941941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.941941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.941941 (E_RNA)
where:
Base-Base interactions energy: -29.260
where: short stacking energy: -22.161
Base-Backbone interact. energy: -0.326
local terms energy: -59.356024
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -3.910
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: 100
Temperature: 0.900000
Total energy: -291.184684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.184684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.184684 (E_RNA)
where:
Base-Base interactions energy: -201.815
where: short stacking energy: -84.492
Base-Backbone interact. energy: 0.428
local terms energy: -89.798106
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -283.213276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.213276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.213276 (E_RNA)
where:
Base-Base interactions energy: -190.715
where: short stacking energy: -82.065
Base-Backbone interact. energy: -0.091
local terms energy: -92.407669
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -11.743
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: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -289.352206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.352206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.352206 (E_RNA)
where:
Base-Base interactions energy: -198.804
where: short stacking energy: -80.816
Base-Backbone interact. energy: 1.238
local terms energy: -91.785873
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -22.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -221.399772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.399772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.399772 (E_RNA)
where:
Base-Base interactions energy: -143.571
where: short stacking energy: -63.712
Base-Backbone interact. energy: -0.143
local terms energy: -77.685668
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -233.404366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.404366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.404366 (E_RNA)
where:
Base-Base interactions energy: -154.877
where: short stacking energy: -54.284
Base-Backbone interact. energy: -0.998
local terms energy: -77.529816
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -14.626
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: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -220.491528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.491528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.491528 (E_RNA)
where:
Base-Base interactions energy: -141.447
where: short stacking energy: -63.739
Base-Backbone interact. energy: -0.234
local terms energy: -78.810843
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -100.608551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.608551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.608551 (E_RNA)
where:
Base-Base interactions energy: -29.936
where: short stacking energy: -27.601
Base-Backbone interact. energy: -0.476
local terms energy: -70.196281
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -90.464757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.464757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.464757 (E_RNA)
where:
Base-Base interactions energy: -33.969
where: short stacking energy: -30.612
Base-Backbone interact. energy: 0.685
local terms energy: -57.180708
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: 0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -100.499510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.499510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.499510 (E_RNA)
where:
Base-Base interactions energy: -49.282
where: short stacking energy: -35.864
Base-Backbone interact. energy: -0.313
local terms energy: -50.903853
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -6.714
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -97.827049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.827049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.827049 (E_RNA)
where:
Base-Base interactions energy: -35.456
where: short stacking energy: -28.108
Base-Backbone interact. energy: -0.327
local terms energy: -62.044003
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -12.708
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: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -296.879371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.879371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.879371 (E_RNA)
where:
Base-Base interactions energy: -201.999
where: short stacking energy: -90.423
Base-Backbone interact. energy: -0.001
local terms energy: -94.879132
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -25.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -287.231477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.231477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.231477 (E_RNA)
where:
Base-Base interactions energy: -191.565
where: short stacking energy: -75.693
Base-Backbone interact. energy: -0.888
local terms energy: -94.778603
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -286.719669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.719669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.719669 (E_RNA)
where:
Base-Base interactions energy: -191.116
where: short stacking energy: -84.184
Base-Backbone interact. energy: -0.006
local terms energy: -95.597957
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -26.472
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: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -251.319793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.319793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.319793 (E_RNA)
where:
Base-Base interactions energy: -155.896
where: short stacking energy: -68.417
Base-Backbone interact. energy: -0.104
local terms energy: -95.320685
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -233.856518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.856518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.856518 (E_RNA)
where:
Base-Base interactions energy: -146.509
where: short stacking energy: -69.609
Base-Backbone interact. energy: 1.289
local terms energy: -88.637240
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -213.522331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.522331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.522331 (E_RNA)
where:
Base-Base interactions energy: -148.155
where: short stacking energy: -50.807
Base-Backbone interact. energy: 2.952
local terms energy: -68.319306
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -13.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -122.111079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.111079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.111079 (E_RNA)
where:
Base-Base interactions energy: -56.321
where: short stacking energy: -42.556
Base-Backbone interact. energy: -0.019
local terms energy: -65.770551
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -10.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -118.221791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.221791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.221791 (E_RNA)
where:
Base-Base interactions energy: -43.420
where: short stacking energy: -37.695
Base-Backbone interact. energy: -0.119
local terms energy: -74.682994
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -10.133
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: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -95.086596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.086596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.086596 (E_RNA)
where:
Base-Base interactions energy: -36.321
where: short stacking energy: -36.321
Base-Backbone interact. energy: -0.005
local terms energy: -58.760594
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -101.893594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.893594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.893594 (E_RNA)
where:
Base-Base interactions energy: -50.157
where: short stacking energy: -37.185
Base-Backbone interact. energy: 0.984
local terms energy: -52.720711
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -291.991816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.991816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.991816 (E_RNA)
where:
Base-Base interactions energy: -200.415
where: short stacking energy: -80.065
Base-Backbone interact. energy: -0.232
local terms energy: -91.344340
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -26.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -283.122813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.122813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.122813 (E_RNA)
where:
Base-Base interactions energy: -188.973
where: short stacking energy: -93.229
Base-Backbone interact. energy: -0.005
local terms energy: -94.145236
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -24.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -281.641277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.641277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.641277 (E_RNA)
where:
Base-Base interactions energy: -185.326
where: short stacking energy: -83.646
Base-Backbone interact. energy: -0.711
local terms energy: -95.604842
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -25.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -246.430509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.430509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.430509 (E_RNA)
where:
Base-Base interactions energy: -164.288
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.645
local terms energy: -81.497243
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -223.805217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.805217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.805217 (E_RNA)
where:
Base-Base interactions energy: -149.135
where: short stacking energy: -72.631
Base-Backbone interact. energy: 0.759
local terms energy: -75.428475
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -19.699
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: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -214.172539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.172539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.172539 (E_RNA)
where:
Base-Base interactions energy: -136.779
where: short stacking energy: -60.780
Base-Backbone interact. energy: 1.014
local terms energy: -78.407143
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -14.744
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: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -102.519626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.519626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.519626 (E_RNA)
where:
Base-Base interactions energy: -43.337
where: short stacking energy: -36.799
Base-Backbone interact. energy: -0.214
local terms energy: -58.968308
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -108.023835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.023835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.023835 (E_RNA)
where:
Base-Base interactions energy: -46.374
where: short stacking energy: -46.374
Base-Backbone interact. energy: 0.253
local terms energy: -61.903049
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -8.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -103.126316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.126316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.126316 (E_RNA)
where:
Base-Base interactions energy: -33.172
where: short stacking energy: -23.977
Base-Backbone interact. energy: -0.026
local terms energy: -69.928658
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -84.769168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.769168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.769168 (E_RNA)
where:
Base-Base interactions energy: -24.028
where: short stacking energy: -24.028
Base-Backbone interact. energy: -0.256
local terms energy: -60.485029
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -291.562844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.562844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.562844 (E_RNA)
where:
Base-Base interactions energy: -198.977
where: short stacking energy: -72.224
Base-Backbone interact. energy: -0.676
local terms energy: -91.909906
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -287.418684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.418684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.418684 (E_RNA)
where:
Base-Base interactions energy: -200.136
where: short stacking energy: -79.560
Base-Backbone interact. energy: -0.081
local terms energy: -87.201814
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -25.426
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: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -288.188622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.188622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.188622 (E_RNA)
where:
Base-Base interactions energy: -199.462
where: short stacking energy: -80.380
Base-Backbone interact. energy: -0.057
local terms energy: -88.670420
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -234.700755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.700755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.700755 (E_RNA)
where:
Base-Base interactions energy: -148.714
where: short stacking energy: -72.480
Base-Backbone interact. energy: -0.008
local terms energy: -85.978046
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -244.704566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.704566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.704566 (E_RNA)
where:
Base-Base interactions energy: -165.952
where: short stacking energy: -67.656
Base-Backbone interact. energy: -0.174
local terms energy: -78.578870
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -14.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -210.118804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.118804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.118804 (E_RNA)
where:
Base-Base interactions energy: -132.274
where: short stacking energy: -52.616
Base-Backbone interact. energy: 0.254
local terms energy: -78.099186
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -108.024698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.024698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.024698 (E_RNA)
where:
Base-Base interactions energy: -38.365
where: short stacking energy: -38.365
Base-Backbone interact. energy: -0.131
local terms energy: -69.528111
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -102.777831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.777831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.777831 (E_RNA)
where:
Base-Base interactions energy: -47.730
where: short stacking energy: -46.256
Base-Backbone interact. energy: -0.234
local terms energy: -54.814340
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -98.068305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.068305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.068305 (E_RNA)
where:
Base-Base interactions energy: -37.316
where: short stacking energy: -22.272
Base-Backbone interact. energy: -0.110
local terms energy: -60.642541
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -93.261755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.261755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.261755 (E_RNA)
where:
Base-Base interactions energy: -33.637
where: short stacking energy: -28.789
Base-Backbone interact. energy: -0.215
local terms energy: -59.410191
where:
bonds (distance) C4'-P energy: -10.089
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -9.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -301.140025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.140025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.140025 (E_RNA)
where:
Base-Base interactions energy: -206.107
where: short stacking energy: -80.626
Base-Backbone interact. energy: 0.465
local terms energy: -95.497620
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -13.098
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: 104
Temperature: 0.950000
Total energy: -290.371517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.371517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.371517 (E_RNA)
where:
Base-Base interactions energy: -196.161
where: short stacking energy: -77.994
Base-Backbone interact. energy: -0.274
local terms energy: -93.937378
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -278.949928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.949928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.949928 (E_RNA)
where:
Base-Base interactions energy: -182.871
where: short stacking energy: -72.996
Base-Backbone interact. energy: -0.046
local terms energy: -96.033574
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -26.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -221.545710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.545710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.545710 (E_RNA)
where:
Base-Base interactions energy: -141.953
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.005
local terms energy: -79.588178
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -17.604
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: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -232.082673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.082673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.082673 (E_RNA)
where:
Base-Base interactions energy: -151.313
where: short stacking energy: -72.225
Base-Backbone interact. energy: -0.169
local terms energy: -80.599883
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -250.358441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.358441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.358441 (E_RNA)
where:
Base-Base interactions energy: -168.530
where: short stacking energy: -77.127
Base-Backbone interact. energy: 0.974
local terms energy: -82.803190
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -11.876
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: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -101.952687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.952687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.952687 (E_RNA)
where:
Base-Base interactions energy: -39.518
where: short stacking energy: -36.741
Base-Backbone interact. energy: -0.168
local terms energy: -62.267129
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: 2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -94.372024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.372024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.372024 (E_RNA)
where:
Base-Base interactions energy: -28.571
where: short stacking energy: -28.571
Base-Backbone interact. energy: -0.096
local terms energy: -65.704538
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -12.216
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: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -90.350724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.350724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.350724 (E_RNA)
where:
Base-Base interactions energy: -28.300
where: short stacking energy: -25.515
Base-Backbone interact. energy: -0.927
local terms energy: -61.124058
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -84.940337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.940337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.940337 (E_RNA)
where:
Base-Base interactions energy: -27.506
where: short stacking energy: -27.506
Base-Backbone interact. energy: -0.123
local terms energy: -57.311075
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -2.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -290.498023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.498023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.498023 (E_RNA)
where:
Base-Base interactions energy: -198.316
where: short stacking energy: -79.537
Base-Backbone interact. energy: -0.022
local terms energy: -92.160234
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -20.850
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: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -286.448837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.448837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.448837 (E_RNA)
where:
Base-Base interactions energy: -203.661
where: short stacking energy: -76.535
Base-Backbone interact. energy: -0.735
local terms energy: -82.053148
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -22.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -278.219949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.219949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.219949 (E_RNA)
where:
Base-Base interactions energy: -190.131
where: short stacking energy: -85.914
Base-Backbone interact. energy: -0.005
local terms energy: -88.083746
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -25.631
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: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -244.426244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.426244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.426244 (E_RNA)
where:
Base-Base interactions energy: -161.496
where: short stacking energy: -85.416
Base-Backbone interact. energy: 0.664
local terms energy: -83.594577
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -23.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -221.847660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.847660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.847660 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -63.754
Base-Backbone interact. energy: 0.354
local terms energy: -80.538214
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -12.741
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: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -245.915248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.915248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.915248 (E_RNA)
where:
Base-Base interactions energy: -163.196
where: short stacking energy: -67.437
Base-Backbone interact. energy: -0.040
local terms energy: -82.679166
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -105.214086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.214086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.214086 (E_RNA)
where:
Base-Base interactions energy: -42.099
where: short stacking energy: -42.099
Base-Backbone interact. energy: -0.122
local terms energy: -62.993243
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -96.020679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.020679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.020679 (E_RNA)
where:
Base-Base interactions energy: -30.214
where: short stacking energy: -26.218
Base-Backbone interact. energy: -0.121
local terms energy: -65.685292
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -91.692130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.692130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.692130 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -36.892
Base-Backbone interact. energy: -0.225
local terms energy: -54.575749
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -100.250745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.250745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.250745 (E_RNA)
where:
Base-Base interactions energy: -40.519
where: short stacking energy: -29.210
Base-Backbone interact. energy: -0.392
local terms energy: -59.340175
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -5.754
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -6.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -289.390640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.390640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.390640 (E_RNA)
where:
Base-Base interactions energy: -197.967
where: short stacking energy: -80.824
Base-Backbone interact. energy: -0.089
local terms energy: -91.334612
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -24.680
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: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -285.019971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.019971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.019971 (E_RNA)
where:
Base-Base interactions energy: -197.268
where: short stacking energy: -72.891
Base-Backbone interact. energy: -0.195
local terms energy: -87.556368
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -20.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -270.321392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.321392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.321392 (E_RNA)
where:
Base-Base interactions energy: -185.187
where: short stacking energy: -70.538
Base-Backbone interact. energy: -0.513
local terms energy: -84.620911
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -232.492542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.492542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.492542 (E_RNA)
where:
Base-Base interactions energy: -149.153
where: short stacking energy: -66.675
Base-Backbone interact. energy: -0.197
local terms energy: -83.142095
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -12.107
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: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -256.871037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.871037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.871037 (E_RNA)
where:
Base-Base interactions energy: -168.314
where: short stacking energy: -72.681
Base-Backbone interact. energy: -0.644
local terms energy: -87.913140
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -27.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -236.561460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.561460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.561460 (E_RNA)
where:
Base-Base interactions energy: -158.776
where: short stacking energy: -78.734
Base-Backbone interact. energy: -0.082
local terms energy: -77.703954
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -19.238
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: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -120.067014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.067014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.067014 (E_RNA)
where:
Base-Base interactions energy: -58.059
where: short stacking energy: -24.978
Base-Backbone interact. energy: -0.239
local terms energy: -61.768928
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -2.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -122.004848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.004848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.004848 (E_RNA)
where:
Base-Base interactions energy: -55.117
where: short stacking energy: -38.107
Base-Backbone interact. energy: 0.528
local terms energy: -67.415070
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -91.093437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.093437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.093437 (E_RNA)
where:
Base-Base interactions energy: -31.004
where: short stacking energy: -26.410
Base-Backbone interact. energy: -0.022
local terms energy: -60.067360
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -4.103
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: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -86.577905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.577905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.577905 (E_RNA)
where:
Base-Base interactions energy: -33.041
where: short stacking energy: -23.137
Base-Backbone interact. energy: 2.195
local terms energy: -55.732191
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -287.233979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.233979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.233979 (E_RNA)
where:
Base-Base interactions energy: -195.850
where: short stacking energy: -83.949
Base-Backbone interact. energy: -0.084
local terms energy: -91.299615
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -23.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -272.540170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.540170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.540170 (E_RNA)
where:
Base-Base interactions energy: -186.857
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.283
local terms energy: -85.400182
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -279.374023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.374023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.374023 (E_RNA)
where:
Base-Base interactions energy: -187.689
where: short stacking energy: -72.562
Base-Backbone interact. energy: -0.048
local terms energy: -91.637680
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -25.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -231.456429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.456429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.456429 (E_RNA)
where:
Base-Base interactions energy: -149.224
where: short stacking energy: -70.944
Base-Backbone interact. energy: -0.006
local terms energy: -82.226029
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -20.741
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: 107
Temperature: 1.100000
Total energy: -260.100742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.100742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.100742 (E_RNA)
where:
Base-Base interactions energy: -167.568
where: short stacking energy: -76.187
Base-Backbone interact. energy: -0.037
local terms energy: -92.495675
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -11.036
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: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -218.244864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.244864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.244864 (E_RNA)
where:
Base-Base interactions energy: -135.876
where: short stacking energy: -62.605
Base-Backbone interact. energy: -0.622
local terms energy: -81.746849
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -13.439
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: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -127.958138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.958138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.958138 (E_RNA)
where:
Base-Base interactions energy: -61.043
where: short stacking energy: -35.662
Base-Backbone interact. energy: -0.506
local terms energy: -66.409069
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -2.160
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: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -94.132256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.132256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.132256 (E_RNA)
where:
Base-Base interactions energy: -33.241
where: short stacking energy: -27.786
Base-Backbone interact. energy: 0.257
local terms energy: -61.148245
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.469
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: 10
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -89.207556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.207556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.207556 (E_RNA)
where:
Base-Base interactions energy: -30.721
where: short stacking energy: -29.149
Base-Backbone interact. energy: 1.597
local terms energy: -60.083172
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -82.642837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.642837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.642837 (E_RNA)
where:
Base-Base interactions energy: -28.151
where: short stacking energy: -28.151
Base-Backbone interact. energy: 0.720
local terms energy: -55.211542
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -299.590481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.590481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.590481 (E_RNA)
where:
Base-Base interactions energy: -195.053
where: short stacking energy: -95.285
Base-Backbone interact. energy: -0.002
local terms energy: -104.534972
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -29.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -292.790090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.790090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.790090 (E_RNA)
where:
Base-Base interactions energy: -196.436
where: short stacking energy: -81.778
Base-Backbone interact. energy: -0.353
local terms energy: -96.001697
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -12.260
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: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -277.914534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.914534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.914534 (E_RNA)
where:
Base-Base interactions energy: -185.112
where: short stacking energy: -75.346
Base-Backbone interact. energy: 0.031
local terms energy: -92.833164
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -11.019
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: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -228.578421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.578421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.578421 (E_RNA)
where:
Base-Base interactions energy: -147.281
where: short stacking energy: -70.432
Base-Backbone interact. energy: 0.028
local terms energy: -81.325184
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -217.290420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.290420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.290420 (E_RNA)
where:
Base-Base interactions energy: -140.918
where: short stacking energy: -65.575
Base-Backbone interact. energy: -0.150
local terms energy: -76.222465
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -259.769488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.769488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.769488 (E_RNA)
where:
Base-Base interactions energy: -170.410
where: short stacking energy: -83.294
Base-Backbone interact. energy: -0.035
local terms energy: -89.324722
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -27.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -104.575716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.575716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.575716 (E_RNA)
where:
Base-Base interactions energy: -40.710
where: short stacking energy: -38.182
Base-Backbone interact. energy: -0.181
local terms energy: -63.684329
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -120.991798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.991798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.991798 (E_RNA)
where:
Base-Base interactions energy: -50.023
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.084
local terms energy: -70.885044
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -94.222225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.222225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.222225 (E_RNA)
where:
Base-Base interactions energy: -33.708
where: short stacking energy: -24.078
Base-Backbone interact. energy: -0.244
local terms energy: -60.269645
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -96.365584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.365584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.365584 (E_RNA)
where:
Base-Base interactions energy: -42.457
where: short stacking energy: -41.754
Base-Backbone interact. energy: 0.347
local terms energy: -54.254831
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -9.691
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: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -296.982089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.982089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.982089 (E_RNA)
where:
Base-Base interactions energy: -196.486
where: short stacking energy: -92.395
Base-Backbone interact. energy: -0.018
local terms energy: -100.478125
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -28.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -284.814445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.814445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.814445 (E_RNA)
where:
Base-Base interactions energy: -200.403
where: short stacking energy: -76.460
Base-Backbone interact. energy: -0.072
local terms energy: -84.338708
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -269.159433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.159433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.159433 (E_RNA)
where:
Base-Base interactions energy: -186.224
where: short stacking energy: -80.044
Base-Backbone interact. energy: -0.125
local terms energy: -82.810024
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.334
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: 4, replica: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -240.309466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.309466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.309466 (E_RNA)
where:
Base-Base interactions energy: -155.736
where: short stacking energy: -79.166
Base-Backbone interact. energy: -0.003
local terms energy: -84.570161
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -220.940356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.940356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.940356 (E_RNA)
where:
Base-Base interactions energy: -143.629
where: short stacking energy: -64.925
Base-Backbone interact. energy: -0.060
local terms energy: -77.251560
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -257.096237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.096237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.096237 (E_RNA)
where:
Base-Base interactions energy: -167.468
where: short stacking energy: -74.339
Base-Backbone interact. energy: -0.071
local terms energy: -89.557633
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -100.905587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.905587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.905587 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -37.771
Base-Backbone interact. energy: -0.128
local terms energy: -62.242053
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -0.662
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: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -114.889216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.889216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.889216 (E_RNA)
where:
Base-Base interactions energy: -45.673
where: short stacking energy: -37.639
Base-Backbone interact. energy: -0.043
local terms energy: -69.173799
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -106.014536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.014536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.014536 (E_RNA)
where:
Base-Base interactions energy: -51.071
where: short stacking energy: -27.627
Base-Backbone interact. energy: -0.743
local terms energy: -54.199938
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -94.484850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.484850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.484850 (E_RNA)
where:
Base-Base interactions energy: -39.347
where: short stacking energy: -34.969
Base-Backbone interact. energy: -0.104
local terms energy: -55.033717
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -7.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -289.470918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.470918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.470918 (E_RNA)
where:
Base-Base interactions energy: -201.218
where: short stacking energy: -78.882
Base-Backbone interact. energy: -0.194
local terms energy: -88.058326
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -6.827
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: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -287.007157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.007157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.007157 (E_RNA)
where:
Base-Base interactions energy: -197.605
where: short stacking energy: -82.342
Base-Backbone interact. energy: 1.032
local terms energy: -90.434424
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -256.692260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.692260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.692260 (E_RNA)
where:
Base-Base interactions energy: -166.973
where: short stacking energy: -74.052
Base-Backbone interact. energy: -0.032
local terms energy: -89.687267
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -237.735370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.735370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.735370 (E_RNA)
where:
Base-Base interactions energy: -151.753
where: short stacking energy: -76.484
Base-Backbone interact. energy: -0.216
local terms energy: -85.766931
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -22.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -268.191349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.191349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.191349 (E_RNA)
where:
Base-Base interactions energy: -180.452
where: short stacking energy: -77.659
Base-Backbone interact. energy: -0.404
local terms energy: -87.335318
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -216.375503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.375503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.375503 (E_RNA)
where:
Base-Base interactions energy: -138.101
where: short stacking energy: -66.134
Base-Backbone interact. energy: -0.413
local terms energy: -77.861545
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -116.385893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.385893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.385893 (E_RNA)
where:
Base-Base interactions energy: -44.063
where: short stacking energy: -27.187
Base-Backbone interact. energy: -0.173
local terms energy: -72.149547
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -6.634
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: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -95.836919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.836919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.836919 (E_RNA)
where:
Base-Base interactions energy: -29.937
where: short stacking energy: -27.204
Base-Backbone interact. energy: -1.384
local terms energy: -64.515991
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -2.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -89.240148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.240148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.240148 (E_RNA)
where:
Base-Base interactions energy: -34.310
where: short stacking energy: -33.590
Base-Backbone interact. energy: -0.608
local terms energy: -54.322334
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: 3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -85.963844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.963844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.963844 (E_RNA)
where:
Base-Base interactions energy: -34.418
where: short stacking energy: -29.331
Base-Backbone interact. energy: -0.400
local terms energy: -51.146277
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: 5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -292.022641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.022641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.022641 (E_RNA)
where:
Base-Base interactions energy: -205.142
where: short stacking energy: -81.467
Base-Backbone interact. energy: -0.110
local terms energy: -86.770330
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -8.759
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: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -289.563516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.563516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.563516 (E_RNA)
where:
Base-Base interactions energy: -202.000
where: short stacking energy: -89.839
Base-Backbone interact. energy: -0.022
local terms energy: -87.540758
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -281.707530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.707530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.707530 (E_RNA)
where:
Base-Base interactions energy: -187.570
where: short stacking energy: -88.698
Base-Backbone interact. energy: -0.009
local terms energy: -94.128957
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -28.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -269.505140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.505140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.505140 (E_RNA)
where:
Base-Base interactions energy: -177.167
where: short stacking energy: -78.598
Base-Backbone interact. energy: -0.017
local terms energy: -92.321237
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -24.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -225.467529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.467529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.467529 (E_RNA)
where:
Base-Base interactions energy: -156.844
where: short stacking energy: -68.175
Base-Backbone interact. energy: 2.042
local terms energy: -70.664830
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -12.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -216.280456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.280456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.280456 (E_RNA)
where:
Base-Base interactions energy: -149.900
where: short stacking energy: -60.834
Base-Backbone interact. energy: 0.963
local terms energy: -67.343446
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -137.306874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.306874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.306874 (E_RNA)
where:
Base-Base interactions energy: -76.974
where: short stacking energy: -47.761
Base-Backbone interact. energy: -0.032
local terms energy: -60.300861
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -97.111666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.111666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.111666 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -19.151
Base-Backbone interact. energy: -0.079
local terms energy: -54.099868
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: 2.131
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: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -95.682195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.682195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.682195 (E_RNA)
where:
Base-Base interactions energy: -40.163
where: short stacking energy: -36.995
Base-Backbone interact. energy: 1.183
local terms energy: -56.702128
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -10.437
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: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -93.302611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.302611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.302611 (E_RNA)
where:
Base-Base interactions energy: -38.612
where: short stacking energy: -28.551
Base-Backbone interact. energy: -0.191
local terms energy: -54.499267
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -286.212830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.212830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.212830 (E_RNA)
where:
Base-Base interactions energy: -191.828
where: short stacking energy: -79.807
Base-Backbone interact. energy: -0.114
local terms energy: -94.270737
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -21.879
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: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -280.684004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.684004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.684004 (E_RNA)
where:
Base-Base interactions energy: -193.520
where: short stacking energy: -70.846
Base-Backbone interact. energy: -0.099
local terms energy: -87.065331
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -23.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -274.592697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.592697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.592697 (E_RNA)
where:
Base-Base interactions energy: -177.261
where: short stacking energy: -83.476
Base-Backbone interact. energy: -0.729
local terms energy: -96.602728
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -25.358
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: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -276.919301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.919301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.919301 (E_RNA)
where:
Base-Base interactions energy: -185.636
where: short stacking energy: -82.472
Base-Backbone interact. energy: -0.029
local terms energy: -91.253846
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -24.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -224.953462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.953462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.953462 (E_RNA)
where:
Base-Base interactions energy: -146.437
where: short stacking energy: -70.401
Base-Backbone interact. energy: -0.613
local terms energy: -77.903281
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -216.204754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.204754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.204754 (E_RNA)
where:
Base-Base interactions energy: -140.449
where: short stacking energy: -61.035
Base-Backbone interact. energy: -0.754
local terms energy: -75.002268
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -107.947649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.947649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.947649 (E_RNA)
where:
Base-Base interactions energy: -39.007
where: short stacking energy: -38.702
Base-Backbone interact. energy: -0.108
local terms energy: -68.832732
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -6.512
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: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -108.533914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.533914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.533914 (E_RNA)
where:
Base-Base interactions energy: -39.908
where: short stacking energy: -35.768
Base-Backbone interact. energy: -0.178
local terms energy: -68.448211
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -87.029784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.029784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.029784 (E_RNA)
where:
Base-Base interactions energy: -29.340
where: short stacking energy: -26.783
Base-Backbone interact. energy: -0.222
local terms energy: -57.467498
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: 0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -95.020167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.020167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.020167 (E_RNA)
where:
Base-Base interactions energy: -31.074
where: short stacking energy: -27.055
Base-Backbone interact. energy: -0.196
local terms energy: -63.750031
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -292.085846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.085846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.085846 (E_RNA)
where:
Base-Base interactions energy: -201.815
where: short stacking energy: -87.937
Base-Backbone interact. energy: -0.006
local terms energy: -90.265063
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -27.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -288.208935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.208935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.208935 (E_RNA)
where:
Base-Base interactions energy: -192.267
where: short stacking energy: -72.891
Base-Backbone interact. energy: -0.099
local terms energy: -95.842179
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -25.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -282.779838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.779838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.779838 (E_RNA)
where:
Base-Base interactions energy: -192.630
where: short stacking energy: -82.126
Base-Backbone interact. energy: 1.004
local terms energy: -91.153475
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -24.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -268.642952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.642952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.642952 (E_RNA)
where:
Base-Base interactions energy: -176.817
where: short stacking energy: -80.606
Base-Backbone interact. energy: -1.008
local terms energy: -90.818178
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -13.739
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: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -228.137265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.137265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.137265 (E_RNA)
where:
Base-Base interactions energy: -139.415
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.002
local terms energy: -88.720045
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -23.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -205.047316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.047316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.047316 (E_RNA)
where:
Base-Base interactions energy: -123.134
where: short stacking energy: -48.160
Base-Backbone interact. energy: -0.132
local terms energy: -81.781179
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -104.671961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.671961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.671961 (E_RNA)
where:
Base-Base interactions energy: -38.922
where: short stacking energy: -34.785
Base-Backbone interact. energy: 0.013
local terms energy: -65.762674
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -98.309314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.309314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.309314 (E_RNA)
where:
Base-Base interactions energy: -37.498
where: short stacking energy: -25.017
Base-Backbone interact. energy: -0.469
local terms energy: -60.342146
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -85.390014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.390014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.390014 (E_RNA)
where:
Base-Base interactions energy: -30.926
where: short stacking energy: -30.123
Base-Backbone interact. energy: -0.414
local terms energy: -54.050043
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -10.904
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: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -86.423605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.423605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.423605 (E_RNA)
where:
Base-Base interactions energy: -29.335
where: short stacking energy: -29.335
Base-Backbone interact. energy: -0.216
local terms energy: -56.872349
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: 0.928
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: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -283.494077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.494077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.494077 (E_RNA)
where:
Base-Base interactions energy: -192.081
where: short stacking energy: -71.214
Base-Backbone interact. energy: -0.161
local terms energy: -91.252137
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -25.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -289.197786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.197786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.197786 (E_RNA)
where:
Base-Base interactions energy: -195.608
where: short stacking energy: -81.883
Base-Backbone interact. energy: 0.275
local terms energy: -93.864907
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -23.628
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: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -286.284308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.284308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.284308 (E_RNA)
where:
Base-Base interactions energy: -198.399
where: short stacking energy: -76.304
Base-Backbone interact. energy: -0.184
local terms energy: -87.701322
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -22.964
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: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -275.010374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.010374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.010374 (E_RNA)
where:
Base-Base interactions energy: -181.710
where: short stacking energy: -78.666
Base-Backbone interact. energy: -0.016
local terms energy: -93.283752
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -24.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -233.362542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.362542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.362542 (E_RNA)
where:
Base-Base interactions energy: -151.721
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.003
local terms energy: -81.638538
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -207.375952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.375952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.375952 (E_RNA)
where:
Base-Base interactions energy: -133.381
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.221
local terms energy: -73.773933
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -19.662
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -90.866942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.866942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.866942 (E_RNA)
where:
Base-Base interactions energy: -27.211
where: short stacking energy: -23.293
Base-Backbone interact. energy: 1.702
local terms energy: -65.357698
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -13.834
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: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -104.512195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.512195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.512195 (E_RNA)
where:
Base-Base interactions energy: -41.422
where: short stacking energy: -41.422
Base-Backbone interact. energy: -0.004
local terms energy: -63.086724
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -107.376983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.376983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.376983 (E_RNA)
where:
Base-Base interactions energy: -55.323
where: short stacking energy: -24.493
Base-Backbone interact. energy: -0.210
local terms energy: -51.843478
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -3.101
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -96.374761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.374761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.374761 (E_RNA)
where:
Base-Base interactions energy: -37.363
where: short stacking energy: -34.058
Base-Backbone interact. energy: -0.062
local terms energy: -58.950142
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -284.900785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.900785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.900785 (E_RNA)
where:
Base-Base interactions energy: -192.588
where: short stacking energy: -71.138
Base-Backbone interact. energy: -0.031
local terms energy: -92.281822
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -20.965
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: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -280.232079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.232079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.232079 (E_RNA)
where:
Base-Base interactions energy: -193.989
where: short stacking energy: -85.146
Base-Backbone interact. energy: -0.111
local terms energy: -86.131991
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -25.166
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: 6
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -273.515901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.515901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.515901 (E_RNA)
where:
Base-Base interactions energy: -194.754
where: short stacking energy: -78.556
Base-Backbone interact. energy: -0.351
local terms energy: -78.410571
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -22.993
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: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -268.278487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.278487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.278487 (E_RNA)
where:
Base-Base interactions energy: -187.650
where: short stacking energy: -83.677
Base-Backbone interact. energy: -0.057
local terms energy: -80.571862
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -13.043
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: 5, replica: 8
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -230.681811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.681811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.681811 (E_RNA)
where:
Base-Base interactions energy: -146.305
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.143
local terms energy: -84.234104
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -21.427
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: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -212.849839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.849839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.849839 (E_RNA)
where:
Base-Base interactions energy: -138.450
where: short stacking energy: -54.849
Base-Backbone interact. energy: -0.656
local terms energy: -73.743604
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -14.219
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -100.670633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.670633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.670633 (E_RNA)
where:
Base-Base interactions energy: -36.164
where: short stacking energy: -29.515
Base-Backbone interact. energy: -0.305
local terms energy: -64.202282
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -102.659146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.659146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.659146 (E_RNA)
where:
Base-Base interactions energy: -39.511
where: short stacking energy: -25.662
Base-Backbone interact. energy: -0.237
local terms energy: -62.911857
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -12.581
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: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -96.253244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.253244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.253244 (E_RNA)
where:
Base-Base interactions energy: -41.865
where: short stacking energy: -31.362
Base-Backbone interact. energy: -0.211
local terms energy: -54.177393
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: 0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -95.530520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.530520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.530520 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -28.557
Base-Backbone interact. energy: -1.204
local terms energy: -62.410752
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -6.812
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: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -296.342348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.342348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.342348 (E_RNA)
where:
Base-Base interactions energy: -203.420
where: short stacking energy: -79.943
Base-Backbone interact. energy: -0.160
local terms energy: -92.763111
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -28.258
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: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -290.117974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.117974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.117974 (E_RNA)
where:
Base-Base interactions energy: -202.400
where: short stacking energy: -80.678
Base-Backbone interact. energy: 1.239
local terms energy: -88.957195
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -27.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -281.264972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.264972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.264972 (E_RNA)
where:
Base-Base interactions energy: -188.183
where: short stacking energy: -83.674
Base-Backbone interact. energy: -0.037
local terms energy: -93.045057
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -17.750
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: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -263.935912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.935912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.935912 (E_RNA)
where:
Base-Base interactions energy: -174.333
where: short stacking energy: -78.690
Base-Backbone interact. energy: -0.029
local terms energy: -89.574026
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -211.848693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.848693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.848693 (E_RNA)
where:
Base-Base interactions energy: -137.117
where: short stacking energy: -59.529
Base-Backbone interact. energy: -0.394
local terms energy: -74.337751
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -16.098
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: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -216.626063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.626063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.626063 (E_RNA)
where:
Base-Base interactions energy: -133.699
where: short stacking energy: -57.846
Base-Backbone interact. energy: -0.009
local terms energy: -82.918190
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -12.959
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: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -98.302310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.302310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.302310 (E_RNA)
where:
Base-Base interactions energy: -33.758
where: short stacking energy: -31.359
Base-Backbone interact. energy: 0.804
local terms energy: -65.347910
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -9.224
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: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -96.035404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.035404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.035404 (E_RNA)
where:
Base-Base interactions energy: -31.391
where: short stacking energy: -26.876
Base-Backbone interact. energy: -0.302
local terms energy: -64.341940
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -92.554413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.554413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.554413 (E_RNA)
where:
Base-Base interactions energy: -28.714
where: short stacking energy: -27.075
Base-Backbone interact. energy: -0.816
local terms energy: -63.023557
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -92.485524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.485524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.485524 (E_RNA)
where:
Base-Base interactions energy: -29.884
where: short stacking energy: -20.193
Base-Backbone interact. energy: -0.327
local terms energy: -62.274552
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: 5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -295.792331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.792331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.792331 (E_RNA)
where:
Base-Base interactions energy: -200.874
where: short stacking energy: -85.205
Base-Backbone interact. energy: -0.088
local terms energy: -94.830561
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -26.682
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: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -283.983582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.983582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.983582 (E_RNA)
where:
Base-Base interactions energy: -197.433
where: short stacking energy: -78.227
Base-Backbone interact. energy: -0.111
local terms energy: -86.439551
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -13.152
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: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -279.179848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.179848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.179848 (E_RNA)
where:
Base-Base interactions energy: -192.707
where: short stacking energy: -74.295
Base-Backbone interact. energy: -0.714
local terms energy: -85.758592
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -7.071
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: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -252.154903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.154903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.154903 (E_RNA)
where:
Base-Base interactions energy: -160.587
where: short stacking energy: -83.595
Base-Backbone interact. energy: -0.183
local terms energy: -91.385023
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -12.186
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: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -220.289692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.289692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.289692 (E_RNA)
where:
Base-Base interactions energy: -141.317
where: short stacking energy: -64.566
Base-Backbone interact. energy: -0.002
local terms energy: -78.970422
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -18.947
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: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -225.040491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.040491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.040491 (E_RNA)
where:
Base-Base interactions energy: -138.449
where: short stacking energy: -56.353
Base-Backbone interact. energy: -0.234
local terms energy: -86.357338
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -119.953141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.953141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.953141 (E_RNA)
where:
Base-Base interactions energy: -48.448
where: short stacking energy: -37.508
Base-Backbone interact. energy: -0.049
local terms energy: -71.456562
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -10.161
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: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -101.272562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.272562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.272562 (E_RNA)
where:
Base-Base interactions energy: -34.865
where: short stacking energy: -34.865
Base-Backbone interact. energy: -0.004
local terms energy: -66.403262
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -90.006495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.006495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.006495 (E_RNA)
where:
Base-Base interactions energy: -33.524
where: short stacking energy: -23.939
Base-Backbone interact. energy: 0.902
local terms energy: -57.384186
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -93.967638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.967638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.967638 (E_RNA)
where:
Base-Base interactions energy: -40.668
where: short stacking energy: -39.327
Base-Backbone interact. energy: 0.094
local terms energy: -53.392816
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -284.630069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.630069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.630069 (E_RNA)
where:
Base-Base interactions energy: -189.750
where: short stacking energy: -79.009
Base-Backbone interact. energy: -0.007
local terms energy: -94.873567
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -23.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -289.689476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.689476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.689476 (E_RNA)
where:
Base-Base interactions energy: -196.162
where: short stacking energy: -77.771
Base-Backbone interact. energy: -0.058
local terms energy: -93.469120
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -273.029181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.029181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.029181 (E_RNA)
where:
Base-Base interactions energy: -186.860
where: short stacking energy: -70.388
Base-Backbone interact. energy: -0.045
local terms energy: -86.124589
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -12.243
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: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -263.130774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.130774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.130774 (E_RNA)
where:
Base-Base interactions energy: -168.867
where: short stacking energy: -68.431
Base-Backbone interact. energy: -0.398
local terms energy: -93.865588
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -18.208
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: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -232.976928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.976928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.976928 (E_RNA)
where:
Base-Base interactions energy: -152.292
where: short stacking energy: -65.871
Base-Backbone interact. energy: -0.045
local terms energy: -80.640527
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -202.947225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.947225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.947225 (E_RNA)
where:
Base-Base interactions energy: -128.195
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.038
local terms energy: -74.714303
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -19.022
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: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -109.391139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.391139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.391139 (E_RNA)
where:
Base-Base interactions energy: -38.609
where: short stacking energy: -36.518
Base-Backbone interact. energy: -0.049
local terms energy: -70.732963
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -100.415582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.415582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.415582 (E_RNA)
where:
Base-Base interactions energy: -44.621
where: short stacking energy: -26.440
Base-Backbone interact. energy: 0.878
local terms energy: -56.672174
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: 3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -102.956184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.956184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.956184 (E_RNA)
where:
Base-Base interactions energy: -38.234
where: short stacking energy: -36.987
Base-Backbone interact. energy: -0.009
local terms energy: -64.713711
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -9.473
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: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -86.209254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.209254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.209254 (E_RNA)
where:
Base-Base interactions energy: -30.070
where: short stacking energy: -25.305
Base-Backbone interact. energy: -0.089
local terms energy: -56.049935
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -4.465
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -300.147978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.147978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.147978 (E_RNA)
where:
Base-Base interactions energy: -205.375
where: short stacking energy: -84.077
Base-Backbone interact. energy: -0.313
local terms energy: -94.460323
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -25.594
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: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -273.073535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.073535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.073535 (E_RNA)
where:
Base-Base interactions energy: -189.848
where: short stacking energy: -67.936
Base-Backbone interact. energy: -0.378
local terms energy: -82.847459
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -23.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -286.162276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.162276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.162276 (E_RNA)
where:
Base-Base interactions energy: -196.864
where: short stacking energy: -84.318
Base-Backbone interact. energy: -0.063
local terms energy: -89.235134
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -238.955143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.955143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.955143 (E_RNA)
where:
Base-Base interactions energy: -157.481
where: short stacking energy: -77.940
Base-Backbone interact. energy: -0.248
local terms energy: -81.226214
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -260.882185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.882185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.882185 (E_RNA)
where:
Base-Base interactions energy: -172.497
where: short stacking energy: -79.277
Base-Backbone interact. energy: -0.228
local terms energy: -88.157439
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -211.983178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.983178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.983178 (E_RNA)
where:
Base-Base interactions energy: -139.230
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.514
local terms energy: -72.239320
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -12.099
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: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -112.545248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.545248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.545248 (E_RNA)
where:
Base-Base interactions energy: -52.522
where: short stacking energy: -40.528
Base-Backbone interact. energy: -0.126
local terms energy: -59.897620
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -103.519077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.519077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.519077 (E_RNA)
where:
Base-Base interactions energy: -37.887
where: short stacking energy: -28.230
Base-Backbone interact. energy: -0.200
local terms energy: -65.432745
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -88.738183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.738183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.738183 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -30.533
Base-Backbone interact. energy: -1.431
local terms energy: -55.129996
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -98.294976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.294976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.294976 (E_RNA)
where:
Base-Base interactions energy: -34.087
where: short stacking energy: -34.087
Base-Backbone interact. energy: -0.269
local terms energy: -63.939195
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -295.968312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.968312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.968312 (E_RNA)
where:
Base-Base interactions energy: -202.935
where: short stacking energy: -82.399
Base-Backbone interact. energy: -0.125
local terms energy: -92.908001
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -280.689344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.689344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.689344 (E_RNA)
where:
Base-Base interactions energy: -197.017
where: short stacking energy: -73.783
Base-Backbone interact. energy: -0.119
local terms energy: -83.553439
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -23.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -282.462496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.462496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.462496 (E_RNA)
where:
Base-Base interactions energy: -195.975
where: short stacking energy: -84.728
Base-Backbone interact. energy: -0.064
local terms energy: -86.424019
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -13.768
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: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -227.830682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.830682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.830682 (E_RNA)
where:
Base-Base interactions energy: -142.773
where: short stacking energy: -63.018
Base-Backbone interact. energy: -0.240
local terms energy: -84.818042
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -269.924035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.924035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.924035 (E_RNA)
where:
Base-Base interactions energy: -185.146
where: short stacking energy: -76.325
Base-Backbone interact. energy: -0.144
local terms energy: -84.633878
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -22.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -201.676592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.676592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.676592 (E_RNA)
where:
Base-Base interactions energy: -126.713
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.138
local terms energy: -74.825154
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -114.165053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.165053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.165053 (E_RNA)
where:
Base-Base interactions energy: -50.305
where: short stacking energy: -29.330
Base-Backbone interact. energy: -0.695
local terms energy: -63.165350
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -3.202
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: 8, replica: 10
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -117.211571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.211571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.211571 (E_RNA)
where:
Base-Base interactions energy: -52.725
where: short stacking energy: -36.663
Base-Backbone interact. energy: -0.208
local terms energy: -64.279062
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -94.265912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.265912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.265912 (E_RNA)
where:
Base-Base interactions energy: -38.447
where: short stacking energy: -30.442
Base-Backbone interact. energy: 2.834
local terms energy: -58.653031
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -88.572554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.572554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.572554 (E_RNA)
where:
Base-Base interactions energy: -40.098
where: short stacking energy: -33.432
Base-Backbone interact. energy: -0.337
local terms energy: -48.137083
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -294.978080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.978080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.978080 (E_RNA)
where:
Base-Base interactions energy: -202.606
where: short stacking energy: -87.075
Base-Backbone interact. energy: -0.134
local terms energy: -92.238357
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -25.792
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: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -285.448283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.448283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.448283 (E_RNA)
where:
Base-Base interactions energy: -198.535
where: short stacking energy: -88.598
Base-Backbone interact. energy: -0.006
local terms energy: -86.907157
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -24.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -269.989903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.989903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.989903 (E_RNA)
where:
Base-Base interactions energy: -180.793
where: short stacking energy: -72.604
Base-Backbone interact. energy: -0.129
local terms energy: -89.067832
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -274.403914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.403914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.403914 (E_RNA)
where:
Base-Base interactions energy: -185.682
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.077
local terms energy: -88.645257
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -25.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -232.135900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.135900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.135900 (E_RNA)
where:
Base-Base interactions energy: -151.476
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.274
local terms energy: -80.386765
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -19.264
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: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -227.238624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.238624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.238624 (E_RNA)
where:
Base-Base interactions energy: -148.075
where: short stacking energy: -67.008
Base-Backbone interact. energy: -0.002
local terms energy: -79.161242
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -21.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -140.980347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.980347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.980347 (E_RNA)
where:
Base-Base interactions energy: -79.844
where: short stacking energy: -39.291
Base-Backbone interact. energy: -0.765
local terms energy: -60.371178
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -3.875
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -127.631943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.631943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.631943 (E_RNA)
where:
Base-Base interactions energy: -67.349
where: short stacking energy: -40.435
Base-Backbone interact. energy: 0.195
local terms energy: -60.477058
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -94.899695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.899695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.899695 (E_RNA)
where:
Base-Base interactions energy: -34.296
where: short stacking energy: -30.524
Base-Backbone interact. energy: -0.163
local terms energy: -60.440640
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -88.121554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.121554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.121554 (E_RNA)
where:
Base-Base interactions energy: -43.975
where: short stacking energy: -38.525
Base-Backbone interact. energy: -1.229
local terms energy: -42.917819
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -6.612
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: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -296.892904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.892904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.892904 (E_RNA)
where:
Base-Base interactions energy: -208.863
where: short stacking energy: -84.854
Base-Backbone interact. energy: -0.272
local terms energy: -87.757321
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -288.908729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.908729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.908729 (E_RNA)
where:
Base-Base interactions energy: -190.489
where: short stacking energy: -86.875
Base-Backbone interact. energy: -0.011
local terms energy: -98.408216
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -27.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -285.521782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.521782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.521782 (E_RNA)
where:
Base-Base interactions energy: -196.651
where: short stacking energy: -81.564
Base-Backbone interact. energy: -0.106
local terms energy: -88.764867
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -26.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -259.219318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.219318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.219318 (E_RNA)
where:
Base-Base interactions energy: -177.947
where: short stacking energy: -61.766
Base-Backbone interact. energy: -0.095
local terms energy: -81.177605
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -17.826
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: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -223.648143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.648143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.648143 (E_RNA)
where:
Base-Base interactions energy: -139.295
where: short stacking energy: -63.701
Base-Backbone interact. energy: -0.057
local terms energy: -84.296509
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -218.622221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.622221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.622221 (E_RNA)
where:
Base-Base interactions energy: -146.924
where: short stacking energy: -60.321
Base-Backbone interact. energy: 0.303
local terms energy: -72.000825
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -101.717247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.717247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.717247 (E_RNA)
where:
Base-Base interactions energy: -36.287
where: short stacking energy: -24.321
Base-Backbone interact. energy: -0.166
local terms energy: -65.264664
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -92.445317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.445317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.445317 (E_RNA)
where:
Base-Base interactions energy: -38.562
where: short stacking energy: -35.490
Base-Backbone interact. energy: -0.221
local terms energy: -53.661818
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -4.777
tors. eta vs tors. theta energy: 0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -86.000492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.000492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.000492 (E_RNA)
where:
Base-Base interactions energy: -25.213
where: short stacking energy: -23.791
Base-Backbone interact. energy: -0.039
local terms energy: -60.748917
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -90.723601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.723601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.723601 (E_RNA)
where:
Base-Base interactions energy: -25.902
where: short stacking energy: -24.413
Base-Backbone interact. energy: 0.176
local terms energy: -64.997600
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: 1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -296.406619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.406619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.406619 (E_RNA)
where:
Base-Base interactions energy: -211.327
where: short stacking energy: -82.532
Base-Backbone interact. energy: -0.100
local terms energy: -84.979302
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -295.775678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.775678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.775678 (E_RNA)
where:
Base-Base interactions energy: -195.424
where: short stacking energy: -82.358
Base-Backbone interact. energy: -0.026
local terms energy: -100.325564
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -26.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -286.129652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.129652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.129652 (E_RNA)
where:
Base-Base interactions energy: -202.822
where: short stacking energy: -88.058
Base-Backbone interact. energy: -0.068
local terms energy: -83.240376
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -15.285
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: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -259.286567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.286567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.286567 (E_RNA)
where:
Base-Base interactions energy: -171.833
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.028
local terms energy: -87.425803
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -15.657
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: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -229.598987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.598987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.598987 (E_RNA)
where:
Base-Base interactions energy: -144.909
where: short stacking energy: -70.096
Base-Backbone interact. energy: 0.003
local terms energy: -84.692865
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -212.461512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.461512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.461512 (E_RNA)
where:
Base-Base interactions energy: -140.189
where: short stacking energy: -59.992
Base-Backbone interact. energy: 4.507
local terms energy: -76.779533
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -108.758658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.758658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.758658 (E_RNA)
where:
Base-Base interactions energy: -46.392
where: short stacking energy: -35.992
Base-Backbone interact. energy: 2.385
local terms energy: -64.752362
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -110.648078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.648078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.648078 (E_RNA)
where:
Base-Base interactions energy: -50.723
where: short stacking energy: -34.567
Base-Backbone interact. energy: -0.530
local terms energy: -59.394515
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -11.030
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -108.391348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.391348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.391348 (E_RNA)
where:
Base-Base interactions energy: -50.828
where: short stacking energy: -44.613
Base-Backbone interact. energy: 1.350
local terms energy: -58.913537
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -10.642
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: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -95.312613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.312613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.312613 (E_RNA)
where:
Base-Base interactions energy: -35.631
where: short stacking energy: -31.657
Base-Backbone interact. energy: -0.153
local terms energy: -59.528348
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: 1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -294.269455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.269455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.269455 (E_RNA)
where:
Base-Base interactions energy: -200.287
where: short stacking energy: -76.917
Base-Backbone interact. energy: -0.016
local terms energy: -93.966836
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -23.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -297.965985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.965985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.965985 (E_RNA)
where:
Base-Base interactions energy: -205.857
where: short stacking energy: -86.703
Base-Backbone interact. energy: -0.014
local terms energy: -92.094768
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -281.564372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.564372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.564372 (E_RNA)
where:
Base-Base interactions energy: -185.380
where: short stacking energy: -83.805
Base-Backbone interact. energy: -0.003
local terms energy: -96.181204
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -28.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -265.178115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.178115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.178115 (E_RNA)
where:
Base-Base interactions energy: -182.044
where: short stacking energy: -70.948
Base-Backbone interact. energy: -0.087
local terms energy: -83.047362
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -22.240
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: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -260.671463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.671463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.671463 (E_RNA)
where:
Base-Base interactions energy: -169.705
where: short stacking energy: -63.933
Base-Backbone interact. energy: -0.470
local terms energy: -90.496524
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -12.176
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: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -210.361136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.361136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.361136 (E_RNA)
where:
Base-Base interactions energy: -133.986
where: short stacking energy: -54.530
Base-Backbone interact. energy: -0.642
local terms energy: -75.733789
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -11.858
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: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -111.759567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.759567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.759567 (E_RNA)
where:
Base-Base interactions energy: -52.975
where: short stacking energy: -40.304
Base-Backbone interact. energy: 1.676
local terms energy: -60.461107
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -107.767050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.767050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.767050 (E_RNA)
where:
Base-Base interactions energy: -53.764
where: short stacking energy: -40.239
Base-Backbone interact. energy: -0.190
local terms energy: -53.812891
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: 0.617
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: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -94.497029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.497029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.497029 (E_RNA)
where:
Base-Base interactions energy: -39.469
where: short stacking energy: -39.469
Base-Backbone interact. energy: -0.050
local terms energy: -54.977922
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -96.408379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.408379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.408379 (E_RNA)
where:
Base-Base interactions energy: -41.714
where: short stacking energy: -26.187
Base-Backbone interact. energy: -0.143
local terms energy: -54.551572
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: 0.694
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: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -297.974354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.974354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.974354 (E_RNA)
where:
Base-Base interactions energy: -201.017
where: short stacking energy: -89.613
Base-Backbone interact. energy: -0.017
local terms energy: -96.939516
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -24.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -286.338010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.338010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.338010 (E_RNA)
where:
Base-Base interactions energy: -188.295
where: short stacking energy: -87.438
Base-Backbone interact. energy: -0.040
local terms energy: -98.002835
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -26.894
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: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -288.142878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.142878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.142878 (E_RNA)
where:
Base-Base interactions energy: -196.021
where: short stacking energy: -82.150
Base-Backbone interact. energy: -0.004
local terms energy: -92.118395
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -262.543615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.543615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.543615 (E_RNA)
where:
Base-Base interactions energy: -174.871
where: short stacking energy: -67.083
Base-Backbone interact. energy: -0.001
local terms energy: -87.671675
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -19.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -258.882780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.882780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.882780 (E_RNA)
where:
Base-Base interactions energy: -181.353
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.007
local terms energy: -77.523238
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -220.787949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.787949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.787949 (E_RNA)
where:
Base-Base interactions energy: -150.906
where: short stacking energy: -67.051
Base-Backbone interact. energy: 0.762
local terms energy: -70.643354
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -107.662636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.662636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.662636 (E_RNA)
where:
Base-Base interactions energy: -42.372
where: short stacking energy: -35.221
Base-Backbone interact. energy: 3.388
local terms energy: -68.678364
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -106.138284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.138284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.138284 (E_RNA)
where:
Base-Base interactions energy: -34.198
where: short stacking energy: -33.505
Base-Backbone interact. energy: -0.400
local terms energy: -71.540525
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -7.553
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: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -109.086352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.086352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.086352 (E_RNA)
where:
Base-Base interactions energy: -52.413
where: short stacking energy: -32.038
Base-Backbone interact. energy: -0.740
local terms energy: -55.933518
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -5.751
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: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -86.930614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.930614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.930614 (E_RNA)
where:
Base-Base interactions energy: -29.119
where: short stacking energy: -24.567
Base-Backbone interact. energy: -0.230
local terms energy: -57.582419
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -299.171293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.171293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.171293 (E_RNA)
where:
Base-Base interactions energy: -195.224
where: short stacking energy: -91.341
Base-Backbone interact. energy: -0.088
local terms energy: -103.858722
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -27.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -281.608119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.608119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.608119 (E_RNA)
where:
Base-Base interactions energy: -183.900
where: short stacking energy: -90.705
Base-Backbone interact. energy: -1.040
local terms energy: -96.668306
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -284.073783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.073783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.073783 (E_RNA)
where:
Base-Base interactions energy: -195.888
where: short stacking energy: -83.084
Base-Backbone interact. energy: -0.191
local terms energy: -87.994729
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -12.812
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: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -262.343480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.343480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.343480 (E_RNA)
where:
Base-Base interactions energy: -182.562
where: short stacking energy: -66.210
Base-Backbone interact. energy: 0.183
local terms energy: -79.963984
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -21.263
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: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -235.123976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.123976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.123976 (E_RNA)
where:
Base-Base interactions energy: -155.873
where: short stacking energy: -66.943
Base-Backbone interact. energy: -0.073
local terms energy: -79.178696
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -6.158
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: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -227.201802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.201802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.201802 (E_RNA)
where:
Base-Base interactions energy: -154.540
where: short stacking energy: -58.521
Base-Backbone interact. energy: -0.248
local terms energy: -72.414319
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -14.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -100.011109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.011109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.011109 (E_RNA)
where:
Base-Base interactions energy: -34.451
where: short stacking energy: -26.431
Base-Backbone interact. energy: -0.528
local terms energy: -65.031954
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: 1.880
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: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -111.727145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.727145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.727145 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.113
local terms energy: -72.876206
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -93.042382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.042382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.042382 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.389
local terms energy: -61.809827
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -94.237705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.237705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.237705 (E_RNA)
where:
Base-Base interactions energy: -39.775
where: short stacking energy: -25.939
Base-Backbone interact. energy: -1.839
local terms energy: -52.623255
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: 0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -308.458289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.458289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.458289 (E_RNA)
where:
Base-Base interactions energy: -210.282
where: short stacking energy: -82.310
Base-Backbone interact. energy: -0.531
local terms energy: -97.645113
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -16.340
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: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -283.540766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.540766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.540766 (E_RNA)
where:
Base-Base interactions energy: -192.208
where: short stacking energy: -87.540
Base-Backbone interact. energy: -0.062
local terms energy: -91.270690
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -25.152
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: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -272.455277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.455277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.455277 (E_RNA)
where:
Base-Base interactions energy: -182.196
where: short stacking energy: -78.422
Base-Backbone interact. energy: -0.238
local terms energy: -90.021484
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -26.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -264.064370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.064370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.064370 (E_RNA)
where:
Base-Base interactions energy: -182.010
where: short stacking energy: -73.730
Base-Backbone interact. energy: 1.779
local terms energy: -83.833746
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -18.408
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: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -224.920049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.920049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.920049 (E_RNA)
where:
Base-Base interactions energy: -144.122
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.117
local terms energy: -80.680638
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -13.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -111.151064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.151064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.151064 (E_RNA)
where:
Base-Base interactions energy: -53.221
where: short stacking energy: -30.360
Base-Backbone interact. energy: -0.207
local terms energy: -57.723626
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -204.859120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.859120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.859120 (E_RNA)
where:
Base-Base interactions energy: -130.877
where: short stacking energy: -61.471
Base-Backbone interact. energy: -0.268
local terms energy: -73.714626
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -101.595313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.595313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.595313 (E_RNA)
where:
Base-Base interactions energy: -35.759
where: short stacking energy: -33.186
Base-Backbone interact. energy: -0.035
local terms energy: -65.800686
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -91.047950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.047950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.047950 (E_RNA)
where:
Base-Base interactions energy: -36.501
where: short stacking energy: -32.938
Base-Backbone interact. energy: -0.423
local terms energy: -54.123220
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -91.036332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.036332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.036332 (E_RNA)
where:
Base-Base interactions energy: -28.619
where: short stacking energy: -28.719
Base-Backbone interact. energy: 0.403
local terms energy: -62.820013
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -308.052025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.052025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.052025 (E_RNA)
where:
Base-Base interactions energy: -213.233
where: short stacking energy: -82.756
Base-Backbone interact. energy: -0.047
local terms energy: -94.771994
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -11.574
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: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -276.617768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.617768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.617768 (E_RNA)
where:
Base-Base interactions energy: -174.486
where: short stacking energy: -81.181
Base-Backbone interact. energy: -0.013
local terms energy: -102.118924
where:
bonds (distance) C4'-P energy: -21.291
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -26.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -283.338647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.338647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.338647 (E_RNA)
where:
Base-Base interactions energy: -188.421
where: short stacking energy: -84.394
Base-Backbone interact. energy: -0.133
local terms energy: -94.785405
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -264.969274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.969274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.969274 (E_RNA)
where:
Base-Base interactions energy: -182.465
where: short stacking energy: -69.720
Base-Backbone interact. energy: -0.971
local terms energy: -81.533542
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -210.103255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.103255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.103255 (E_RNA)
where:
Base-Base interactions energy: -129.128
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.453
local terms energy: -80.522495
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -149.104649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.104649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.104649 (E_RNA)
where:
Base-Base interactions energy: -80.037
where: short stacking energy: -43.037
Base-Backbone interact. energy: -0.411
local terms energy: -68.655912
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -6.656
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: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -202.854847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.854847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.854847 (E_RNA)
where:
Base-Base interactions energy: -133.622
where: short stacking energy: -60.819
Base-Backbone interact. energy: -0.137
local terms energy: -69.095901
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -104.512859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.512859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.512859 (E_RNA)
where:
Base-Base interactions energy: -36.181
where: short stacking energy: -36.181
Base-Backbone interact. energy: 0.064
local terms energy: -68.396073
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -7.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -95.263283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.263283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.263283 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -22.524
Base-Backbone interact. energy: 0.702
local terms energy: -66.204320
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -95.005733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.005733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.005733 (E_RNA)
where:
Base-Base interactions energy: -44.729
where: short stacking energy: -32.281
Base-Backbone interact. energy: -0.219
local terms energy: -50.058025
where:
bonds (distance) C4'-P energy: -7.753
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -8.921
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: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -289.930733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.930733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.930733 (E_RNA)
where:
Base-Base interactions energy: -189.311
where: short stacking energy: -81.881
Base-Backbone interact. energy: -0.032
local terms energy: -100.587678
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -27.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -286.808653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.808653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.808653 (E_RNA)
where:
Base-Base interactions energy: -204.179
where: short stacking energy: -81.322
Base-Backbone interact. energy: -0.033
local terms energy: -82.596493
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -24.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -286.750296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.750296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.750296 (E_RNA)
where:
Base-Base interactions energy: -191.181
where: short stacking energy: -87.931
Base-Backbone interact. energy: 0.447
local terms energy: -96.015890
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -25.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -255.315138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.315138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.315138 (E_RNA)
where:
Base-Base interactions energy: -178.527
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.254
local terms energy: -76.534587
where:
bonds (distance) C4'-P energy: -8.114
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -223.861094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.861094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.861094 (E_RNA)
where:
Base-Base interactions energy: -146.946
where: short stacking energy: -73.656
Base-Backbone interact. energy: -0.436
local terms energy: -76.479891
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -210.835262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.835262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.835262 (E_RNA)
where:
Base-Base interactions energy: -134.990
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.090
local terms energy: -75.754400
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -170.617992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.617992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.617992 (E_RNA)
where:
Base-Base interactions energy: -106.320
where: short stacking energy: -40.715
Base-Backbone interact. energy: 1.587
local terms energy: -65.885127
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -98.300079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.300079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.300079 (E_RNA)
where:
Base-Base interactions energy: -30.048
where: short stacking energy: -30.048
Base-Backbone interact. energy: 0.845
local terms energy: -69.096567
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -1.340
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: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -120.651168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.651168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.651168 (E_RNA)
where:
Base-Base interactions energy: -63.449
where: short stacking energy: -35.554
Base-Backbone interact. energy: -0.332
local terms energy: -56.870414
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -21.450
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -5.132
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: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -82.912030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.912030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.912030 (E_RNA)
where:
Base-Base interactions energy: -20.993
where: short stacking energy: -20.993
Base-Backbone interact. energy: 0.189
local terms energy: -62.108014
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: 4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -305.017020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.017020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.017020 (E_RNA)
where:
Base-Base interactions energy: -210.049
where: short stacking energy: -88.163
Base-Backbone interact. energy: -0.114
local terms energy: -94.853432
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -23.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -292.382376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.382376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.382376 (E_RNA)
where:
Base-Base interactions energy: -199.498
where: short stacking energy: -89.960
Base-Backbone interact. energy: 0.293
local terms energy: -93.177527
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -23.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -294.353013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.353013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.353013 (E_RNA)
where:
Base-Base interactions energy: -194.478
where: short stacking energy: -82.156
Base-Backbone interact. energy: -0.044
local terms energy: -99.830626
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -26.130
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: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -270.762585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.762585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.762585 (E_RNA)
where:
Base-Base interactions energy: -183.037
where: short stacking energy: -65.505
Base-Backbone interact. energy: 0.700
local terms energy: -88.425757
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -224.055558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.055558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.055558 (E_RNA)
where:
Base-Base interactions energy: -143.232
where: short stacking energy: -62.201
Base-Backbone interact. energy: 0.529
local terms energy: -81.353115
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -18.741
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -13.778
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: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -219.182434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.182434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.182434 (E_RNA)
where:
Base-Base interactions energy: -142.114
where: short stacking energy: -62.792
Base-Backbone interact. energy: 1.618
local terms energy: -78.686261
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -230.829691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.829691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.829691 (E_RNA)
where:
Base-Base interactions energy: -141.823
where: short stacking energy: -61.090
Base-Backbone interact. energy: -0.287
local terms energy: -88.720007
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -107.030799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.030799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.030799 (E_RNA)
where:
Base-Base interactions energy: -47.274
where: short stacking energy: -41.316
Base-Backbone interact. energy: -0.392
local terms energy: -59.364287
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -4.311
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: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -92.343175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.343175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.343175 (E_RNA)
where:
Base-Base interactions energy: -31.157
where: short stacking energy: -24.158
Base-Backbone interact. energy: -1.731
local terms energy: -59.454952
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -123.396882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.396882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.396882 (E_RNA)
where:
Base-Base interactions energy: -61.376
where: short stacking energy: -36.469
Base-Backbone interact. energy: -0.317
local terms energy: -61.704504
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -6.806
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: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -298.504488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.504488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.504488 (E_RNA)
where:
Base-Base interactions energy: -202.288
where: short stacking energy: -85.364
Base-Backbone interact. energy: -0.066
local terms energy: -96.150817
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -12.015
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: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -290.666192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.666192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.666192 (E_RNA)
where:
Base-Base interactions energy: -200.343
where: short stacking energy: -83.801
Base-Backbone interact. energy: -0.141
local terms energy: -90.182332
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -24.455
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: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -283.480212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.480212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.480212 (E_RNA)
where:
Base-Base interactions energy: -196.873
where: short stacking energy: -78.852
Base-Backbone interact. energy: -0.584
local terms energy: -86.023613
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -8.941
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -25.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -257.953654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.953654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.953654 (E_RNA)
where:
Base-Base interactions energy: -178.413
where: short stacking energy: -65.651
Base-Backbone interact. energy: -0.028
local terms energy: -79.512289
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -5.142
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: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -231.372666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.372666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.372666 (E_RNA)
where:
Base-Base interactions energy: -140.517
where: short stacking energy: -68.169
Base-Backbone interact. energy: -0.341
local terms energy: -90.514374
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -23.879
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: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -238.818125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.818125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.818125 (E_RNA)
where:
Base-Base interactions energy: -152.209
where: short stacking energy: -64.098
Base-Backbone interact. energy: -0.094
local terms energy: -86.515029
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -19.895
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: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -206.180068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.180068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.180068 (E_RNA)
where:
Base-Base interactions energy: -128.832
where: short stacking energy: -53.600
Base-Backbone interact. energy: -0.001
local terms energy: -77.347624
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -19.022
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: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -94.609347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.609347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.609347 (E_RNA)
where:
Base-Base interactions energy: -30.745
where: short stacking energy: -30.745
Base-Backbone interact. energy: -1.021
local terms energy: -62.843237
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -3.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -99.502358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.502358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.502358 (E_RNA)
where:
Base-Base interactions energy: -37.965
where: short stacking energy: -37.965
Base-Backbone interact. energy: -0.177
local terms energy: -61.360389
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -96.432369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.432369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.432369 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -21.916
Base-Backbone interact. energy: -0.372
local terms energy: -62.474172
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -10.895
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: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -301.560816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.560816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.560816 (E_RNA)
where:
Base-Base interactions energy: -204.780
where: short stacking energy: -84.748
Base-Backbone interact. energy: -0.070
local terms energy: -96.711070
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -27.406
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: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -292.278400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.278400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.278400 (E_RNA)
where:
Base-Base interactions energy: -206.314
where: short stacking energy: -80.848
Base-Backbone interact. energy: -0.103
local terms energy: -85.861294
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -24.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -281.605186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.605186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.605186 (E_RNA)
where:
Base-Base interactions energy: -188.612
where: short stacking energy: -82.317
Base-Backbone interact. energy: -0.043
local terms energy: -92.950144
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -16.212
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: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -269.426350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.426350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.426350 (E_RNA)
where:
Base-Base interactions energy: -184.513
where: short stacking energy: -67.758
Base-Backbone interact. energy: -0.134
local terms energy: -84.779421
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -10.433
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: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -239.406907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.406907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.406907 (E_RNA)
where:
Base-Base interactions energy: -154.145
where: short stacking energy: -75.652
Base-Backbone interact. energy: -0.079
local terms energy: -85.183186
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -210.040007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.040007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.040007 (E_RNA)
where:
Base-Base interactions energy: -144.978
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.226
local terms energy: -64.835790
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -225.124773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.124773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.124773 (E_RNA)
where:
Base-Base interactions energy: -151.501
where: short stacking energy: -66.008
Base-Backbone interact. energy: -0.356
local terms energy: -73.267009
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -18.074
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: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -130.972272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.972272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.972272 (E_RNA)
where:
Base-Base interactions energy: -72.819
where: short stacking energy: -45.020
Base-Backbone interact. energy: -0.540
local terms energy: -57.613354
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -4.017
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -99.780187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.780187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.780187 (E_RNA)
where:
Base-Base interactions energy: -36.199
where: short stacking energy: -26.708
Base-Backbone interact. energy: 1.263
local terms energy: -64.844410
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -97.399975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.399975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.399975 (E_RNA)
where:
Base-Base interactions energy: -44.394
where: short stacking energy: -31.906
Base-Backbone interact. energy: -0.189
local terms energy: -52.816978
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -9.311
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: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -308.997278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.997278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.997278 (E_RNA)
where:
Base-Base interactions energy: -215.070
where: short stacking energy: -88.132
Base-Backbone interact. energy: -0.117
local terms energy: -93.810893
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -25.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -280.131635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.131635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.131635 (E_RNA)
where:
Base-Base interactions energy: -185.636
where: short stacking energy: -83.868
Base-Backbone interact. energy: -0.015
local terms energy: -94.480570
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -15.686
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: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -287.080256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.080256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.080256 (E_RNA)
where:
Base-Base interactions energy: -195.023
where: short stacking energy: -92.860
Base-Backbone interact. energy: -0.559
local terms energy: -91.498066
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -27.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -242.469462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.469462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.469462 (E_RNA)
where:
Base-Base interactions energy: -154.414
where: short stacking energy: -73.716
Base-Backbone interact. energy: -0.092
local terms energy: -87.962694
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -249.498195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.498195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.498195 (E_RNA)
where:
Base-Base interactions energy: -174.735
where: short stacking energy: -64.148
Base-Backbone interact. energy: -0.202
local terms energy: -74.561126
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -7.745
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: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -216.960315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.960315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.960315 (E_RNA)
where:
Base-Base interactions energy: -144.412
where: short stacking energy: -67.271
Base-Backbone interact. energy: -0.042
local terms energy: -72.506676
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -170.510376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.510376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.510376 (E_RNA)
where:
Base-Base interactions energy: -109.532
where: short stacking energy: -39.649
Base-Backbone interact. energy: -0.519
local terms energy: -60.459452
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -106.486265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.486265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.486265 (E_RNA)
where:
Base-Base interactions energy: -51.892
where: short stacking energy: -25.187
Base-Backbone interact. energy: -0.186
local terms energy: -54.408521
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: 2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -135.366455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.366455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.366455 (E_RNA)
where:
Base-Base interactions energy: -65.655
where: short stacking energy: -45.724
Base-Backbone interact. energy: -0.493
local terms energy: -69.218310
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -12.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -87.458965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458965 (E_RNA)
where:
Base-Base interactions energy: -28.511
where: short stacking energy: -28.511
Base-Backbone interact. energy: -1.096
local terms energy: -57.851526
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -291.095617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.095617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.095617 (E_RNA)
where:
Base-Base interactions energy: -189.316
where: short stacking energy: -85.951
Base-Backbone interact. energy: 0.644
local terms energy: -102.424047
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -26.288
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: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -306.155082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.155082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.155082 (E_RNA)
where:
Base-Base interactions energy: -210.306
where: short stacking energy: -87.882
Base-Backbone interact. energy: -0.085
local terms energy: -95.764396
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -27.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -277.290213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.290213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.290213 (E_RNA)
where:
Base-Base interactions energy: -185.220
where: short stacking energy: -87.213
Base-Backbone interact. energy: -0.797
local terms energy: -91.273473
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -24.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -249.951324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.951324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.951324 (E_RNA)
where:
Base-Base interactions energy: -166.608
where: short stacking energy: -78.186
Base-Backbone interact. energy: -0.091
local terms energy: -83.252756
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -22.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -227.888561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.888561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.888561 (E_RNA)
where:
Base-Base interactions energy: -147.945
where: short stacking energy: -68.896
Base-Backbone interact. energy: -0.140
local terms energy: -79.803195
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -228.238752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.238752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.238752 (E_RNA)
where:
Base-Base interactions energy: -156.786
where: short stacking energy: -63.844
Base-Backbone interact. energy: 1.659
local terms energy: -73.111935
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -207.983786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.983786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.983786 (E_RNA)
where:
Base-Base interactions energy: -125.683
where: short stacking energy: -62.063
Base-Backbone interact. energy: -0.241
local terms energy: -82.060335
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -95.821421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.821421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.821421 (E_RNA)
where:
Base-Base interactions energy: -35.958
where: short stacking energy: -30.589
Base-Backbone interact. energy: -0.375
local terms energy: -59.487924
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -98.603856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.603856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.603856 (E_RNA)
where:
Base-Base interactions energy: -44.624
where: short stacking energy: -29.021
Base-Backbone interact. energy: -0.396
local terms energy: -53.584179
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: 1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -87.778266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.778266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.778266 (E_RNA)
where:
Base-Base interactions energy: -24.749
where: short stacking energy: -23.688
Base-Backbone interact. energy: -0.295
local terms energy: -62.733969
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -5.943
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: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -287.037565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.037565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.037565 (E_RNA)
where:
Base-Base interactions energy: -188.680
where: short stacking energy: -88.952
Base-Backbone interact. energy: -0.720
local terms energy: -97.638144
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -26.701
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: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -294.990196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.990196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.990196 (E_RNA)
where:
Base-Base interactions energy: -204.011
where: short stacking energy: -90.446
Base-Backbone interact. energy: -0.027
local terms energy: -90.951887
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -23.580
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: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -279.692995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.692995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.692995 (E_RNA)
where:
Base-Base interactions energy: -182.879
where: short stacking energy: -84.286
Base-Backbone interact. energy: -0.039
local terms energy: -96.774609
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -27.035
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: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -239.821039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.821039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.821039 (E_RNA)
where:
Base-Base interactions energy: -155.665
where: short stacking energy: -75.204
Base-Backbone interact. energy: -0.826
local terms energy: -83.329727
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -17.666
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: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -222.372487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.372487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.372487 (E_RNA)
where:
Base-Base interactions energy: -145.994
where: short stacking energy: -65.962
Base-Backbone interact. energy: 2.114
local terms energy: -78.491669
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -209.159071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.159071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.159071 (E_RNA)
where:
Base-Base interactions energy: -137.440
where: short stacking energy: -60.983
Base-Backbone interact. energy: -0.214
local terms energy: -71.504836
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -12.295
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: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -207.628880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.628880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.628880 (E_RNA)
where:
Base-Base interactions energy: -134.761
where: short stacking energy: -54.444
Base-Backbone interact. energy: -0.114
local terms energy: -72.753586
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -98.106441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.106441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.106441 (E_RNA)
where:
Base-Base interactions energy: -41.804
where: short stacking energy: -35.550
Base-Backbone interact. energy: -0.118
local terms energy: -56.185118
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -97.638308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.638308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.638308 (E_RNA)
where:
Base-Base interactions energy: -41.355
where: short stacking energy: -28.615
Base-Backbone interact. energy: 0.126
local terms energy: -56.409749
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: 2.947
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: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -99.083908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.083908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.083908 (E_RNA)
where:
Base-Base interactions energy: -40.358
where: short stacking energy: -29.686
Base-Backbone interact. energy: -0.054
local terms energy: -58.671867
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -0.278
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: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -289.955153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.955153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.955153 (E_RNA)
where:
Base-Base interactions energy: -192.086
where: short stacking energy: -81.473
Base-Backbone interact. energy: -0.677
local terms energy: -97.192721
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -22.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -289.960103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.960103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.960103 (E_RNA)
where:
Base-Base interactions energy: -189.725
where: short stacking energy: -77.478
Base-Backbone interact. energy: 0.447
local terms energy: -100.682149
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -25.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -281.869638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.869638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.869638 (E_RNA)
where:
Base-Base interactions energy: -199.017
where: short stacking energy: -87.953
Base-Backbone interact. energy: -0.555
local terms energy: -82.297493
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -23.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -243.447387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.447387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.447387 (E_RNA)
where:
Base-Base interactions energy: -160.483
where: short stacking energy: -77.921
Base-Backbone interact. energy: -0.284
local terms energy: -82.680077
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -14.652
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: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -206.259544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.259544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.259544 (E_RNA)
where:
Base-Base interactions energy: -133.637
where: short stacking energy: -63.597
Base-Backbone interact. energy: 0.198
local terms energy: -72.820372
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -11.374
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: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -217.235985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.235985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.235985 (E_RNA)
where:
Base-Base interactions energy: -144.352
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.983
local terms energy: -71.901037
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -17.680
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: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -200.532498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.532498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.532498 (E_RNA)
where:
Base-Base interactions energy: -128.942
where: short stacking energy: -61.871
Base-Backbone interact. energy: -0.100
local terms energy: -71.490347
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -94.421456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.421456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.421456 (E_RNA)
where:
Base-Base interactions energy: -33.258
where: short stacking energy: -27.727
Base-Backbone interact. energy: -0.877
local terms energy: -60.285719
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: 1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -94.965663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.965663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.965663 (E_RNA)
where:
Base-Base interactions energy: -39.009
where: short stacking energy: -28.761
Base-Backbone interact. energy: -0.187
local terms energy: -55.769098
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -95.255179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.255179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.255179 (E_RNA)
where:
Base-Base interactions energy: -46.648
where: short stacking energy: -43.616
Base-Backbone interact. energy: -0.174
local terms energy: -48.433752
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -300.982036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.982036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.982036 (E_RNA)
where:
Base-Base interactions energy: -203.556
where: short stacking energy: -89.394
Base-Backbone interact. energy: -0.040
local terms energy: -97.386282
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -16.034
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: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -284.299350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.299350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.299350 (E_RNA)
where:
Base-Base interactions energy: -184.034
where: short stacking energy: -85.897
Base-Backbone interact. energy: -1.388
local terms energy: -98.877191
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -26.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -275.652157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.652157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.652157 (E_RNA)
where:
Base-Base interactions energy: -184.631
where: short stacking energy: -81.595
Base-Backbone interact. energy: 1.399
local terms energy: -92.420904
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -21.939
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: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -241.013578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.013578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.013578 (E_RNA)
where:
Base-Base interactions energy: -154.631
where: short stacking energy: -74.325
Base-Backbone interact. energy: 2.718
local terms energy: -89.100407
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -214.446341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.446341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.446341 (E_RNA)
where:
Base-Base interactions energy: -140.987
where: short stacking energy: -59.944
Base-Backbone interact. energy: -0.278
local terms energy: -73.182062
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -208.198256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.198256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.198256 (E_RNA)
where:
Base-Base interactions energy: -131.290
where: short stacking energy: -58.311
Base-Backbone interact. energy: -0.722
local terms energy: -76.185821
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -222.439980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.439980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.439980 (E_RNA)
where:
Base-Base interactions energy: -149.106
where: short stacking energy: -50.672
Base-Backbone interact. energy: 0.343
local terms energy: -73.677071
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -108.857541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.857541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.857541 (E_RNA)
where:
Base-Base interactions energy: -35.427
where: short stacking energy: -35.427
Base-Backbone interact. energy: -0.090
local terms energy: -73.340055
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -13.701
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: 137
Temperature: 1.300000
Total energy: -94.106131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.106131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.106131 (E_RNA)
where:
Base-Base interactions energy: -34.879
where: short stacking energy: -31.682
Base-Backbone interact. energy: -0.110
local terms energy: -59.116819
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -106.647596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.647596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.647596 (E_RNA)
where:
Base-Base interactions energy: -46.963
where: short stacking energy: -30.482
Base-Backbone interact. energy: 0.892
local terms energy: -60.576730
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -300.294595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.294595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.294595 (E_RNA)
where:
Base-Base interactions energy: -211.484
where: short stacking energy: -82.250
Base-Backbone interact. energy: -0.050
local terms energy: -88.759991
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -283.414755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.414755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.414755 (E_RNA)
where:
Base-Base interactions energy: -186.076
where: short stacking energy: -86.013
Base-Backbone interact. energy: -0.016
local terms energy: -97.322342
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -15.870
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: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -242.024385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.024385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.024385 (E_RNA)
where:
Base-Base interactions energy: -161.628
where: short stacking energy: -67.913
Base-Backbone interact. energy: -1.392
local terms energy: -79.004683
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -254.750924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.750924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.750924 (E_RNA)
where:
Base-Base interactions energy: -164.934
where: short stacking energy: -73.515
Base-Backbone interact. energy: -0.547
local terms energy: -89.269532
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -22.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -220.109056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.109056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.109056 (E_RNA)
where:
Base-Base interactions energy: -144.702
where: short stacking energy: -71.130
Base-Backbone interact. energy: -0.203
local terms energy: -75.204500
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -224.396759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.396759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.396759 (E_RNA)
where:
Base-Base interactions energy: -141.161
where: short stacking energy: -61.571
Base-Backbone interact. energy: 0.343
local terms energy: -83.579031
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -205.519183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.519183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.519183 (E_RNA)
where:
Base-Base interactions energy: -139.612
where: short stacking energy: -55.299
Base-Backbone interact. energy: -0.020
local terms energy: -65.886864
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -92.005997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.005997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.005997 (E_RNA)
where:
Base-Base interactions energy: -34.413
where: short stacking energy: -31.871
Base-Backbone interact. energy: -0.723
local terms energy: -56.870195
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -3.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -106.684458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.684458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.684458 (E_RNA)
where:
Base-Base interactions energy: -41.645
where: short stacking energy: -35.066
Base-Backbone interact. energy: -0.277
local terms energy: -64.762007
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -129.118287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.118287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.118287 (E_RNA)
where:
Base-Base interactions energy: -65.388
where: short stacking energy: -40.378
Base-Backbone interact. energy: -0.421
local terms energy: -63.308562
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -7.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -280.250486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.250486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.250486 (E_RNA)
where:
Base-Base interactions energy: -187.980
where: short stacking energy: -84.860
Base-Backbone interact. energy: -0.122
local terms energy: -92.148692
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -16.046
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: 2, replica: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -279.519785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.519785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.519785 (E_RNA)
where:
Base-Base interactions energy: -183.127
where: short stacking energy: -93.503
Base-Backbone interact. energy: -0.136
local terms energy: -96.257078
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -27.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -287.075320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.075320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.075320 (E_RNA)
where:
Base-Base interactions energy: -201.124
where: short stacking energy: -76.171
Base-Backbone interact. energy: 0.665
local terms energy: -86.617102
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -13.474
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: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -260.058532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.058532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.058532 (E_RNA)
where:
Base-Base interactions energy: -171.340
where: short stacking energy: -78.079
Base-Backbone interact. energy: -0.045
local terms energy: -88.673749
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -10.606
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: 139
Temperature: 1.100000
Total energy: -233.048261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.048261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.048261 (E_RNA)
where:
Base-Base interactions energy: -153.533
where: short stacking energy: -74.996
Base-Backbone interact. energy: -0.104
local terms energy: -79.410997
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -215.698634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.698634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.698634 (E_RNA)
where:
Base-Base interactions energy: -134.222
where: short stacking energy: -55.295
Base-Backbone interact. energy: -0.542
local terms energy: -80.934502
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -200.217340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.217340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.217340 (E_RNA)
where:
Base-Base interactions energy: -127.403
where: short stacking energy: -52.777
Base-Backbone interact. energy: 1.255
local terms energy: -74.068955
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -105.960142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.960142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.960142 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -32.950
Base-Backbone interact. energy: -0.175
local terms energy: -69.787898
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -8.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -84.595327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.595327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.595327 (E_RNA)
where:
Base-Base interactions energy: -33.365
where: short stacking energy: -33.365
Base-Backbone interact. energy: -0.036
local terms energy: -51.194927
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -3.475
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: 10, replica: 10
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -116.182726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.182726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.182726 (E_RNA)
where:
Base-Base interactions energy: -57.235
where: short stacking energy: -29.088
Base-Backbone interact. energy: -0.875
local terms energy: -58.073234
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: 0.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -288.765728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.765728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.765728 (E_RNA)
where:
Base-Base interactions energy: -192.484
where: short stacking energy: -93.797
Base-Backbone interact. energy: -0.027
local terms energy: -96.255367
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -13.317
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: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -288.090817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.090817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.090817 (E_RNA)
where:
Base-Base interactions energy: -199.338
where: short stacking energy: -85.292
Base-Backbone interact. energy: -0.196
local terms energy: -88.556378
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -24.204
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: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -273.187400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.187400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.187400 (E_RNA)
where:
Base-Base interactions energy: -176.604
where: short stacking energy: -89.937
Base-Backbone interact. energy: -0.012
local terms energy: -96.571605
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -27.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -263.152227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.152227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.152227 (E_RNA)
where:
Base-Base interactions energy: -183.908
where: short stacking energy: -76.910
Base-Backbone interact. energy: -0.299
local terms energy: -78.945009
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -219.748731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.748731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.748731 (E_RNA)
where:
Base-Base interactions energy: -147.543
where: short stacking energy: -66.312
Base-Backbone interact. energy: -0.443
local terms energy: -71.762320
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -214.645459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.645459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.645459 (E_RNA)
where:
Base-Base interactions energy: -136.070
where: short stacking energy: -56.765
Base-Backbone interact. energy: -0.227
local terms energy: -78.347804
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -217.564770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.564770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.564770 (E_RNA)
where:
Base-Base interactions energy: -145.560
where: short stacking energy: -67.521
Base-Backbone interact. energy: 0.683
local terms energy: -72.688293
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -90.412952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.412952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.412952 (E_RNA)
where:
Base-Base interactions energy: -25.948
where: short stacking energy: -25.948
Base-Backbone interact. energy: -0.695
local terms energy: -63.769698
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -109.651767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.651767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.651767 (E_RNA)
where:
Base-Base interactions energy: -61.887
where: short stacking energy: -31.849
Base-Backbone interact. energy: -0.669
local terms energy: -47.095239
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: 2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -104.813790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.813790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.813790 (E_RNA)
where:
Base-Base interactions energy: -45.682
where: short stacking energy: -24.310
Base-Backbone interact. energy: -0.128
local terms energy: -59.003963
where:
bonds (distance) C4'-P energy: -20.075
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -295.482339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.482339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.482339 (E_RNA)
where:
Base-Base interactions energy: -207.324
where: short stacking energy: -89.003
Base-Backbone interact. energy: 0.795
local terms energy: -88.952966
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -294.519818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.519818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.519818 (E_RNA)
where:
Base-Base interactions energy: -208.354
where: short stacking energy: -88.103
Base-Backbone interact. energy: -0.141
local terms energy: -86.025393
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -26.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -284.259350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.259350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.259350 (E_RNA)
where:
Base-Base interactions energy: -183.427
where: short stacking energy: -84.985
Base-Backbone interact. energy: -0.015
local terms energy: -100.817267
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -30.916
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: 4, replica: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -258.658205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.658205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.658205 (E_RNA)
where:
Base-Base interactions energy: -169.736
where: short stacking energy: -81.885
Base-Backbone interact. energy: -0.091
local terms energy: -88.831088
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -10.431
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: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -218.122784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.122784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.122784 (E_RNA)
where:
Base-Base interactions energy: -139.983
where: short stacking energy: -66.257
Base-Backbone interact. energy: 0.583
local terms energy: -78.722926
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -215.643034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.643034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.643034 (E_RNA)
where:
Base-Base interactions energy: -134.321
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.294
local terms energy: -81.027967
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -11.906
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: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -225.854320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.854320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.854320 (E_RNA)
where:
Base-Base interactions energy: -140.629
where: short stacking energy: -67.418
Base-Backbone interact. energy: -0.001
local terms energy: -85.224446
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -14.996
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: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -101.696322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.696322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.696322 (E_RNA)
where:
Base-Base interactions energy: -37.374
where: short stacking energy: -28.965
Base-Backbone interact. energy: -0.209
local terms energy: -64.113251
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -89.415322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.415322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.415322 (E_RNA)
where:
Base-Base interactions energy: -38.111
where: short stacking energy: -25.835
Base-Backbone interact. energy: 2.099
local terms energy: -53.403366
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -12.443
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: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -100.796693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.796693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.796693 (E_RNA)
where:
Base-Base interactions energy: -40.939
where: short stacking energy: -26.529
Base-Backbone interact. energy: -0.258
local terms energy: -59.599326
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -292.459340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.459340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.459340 (E_RNA)
where:
Base-Base interactions energy: -198.084
where: short stacking energy: -81.528
Base-Backbone interact. energy: -0.179
local terms energy: -94.196307
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -16.375
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: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -292.145722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.145722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.145722 (E_RNA)
where:
Base-Base interactions energy: -194.096
where: short stacking energy: -72.606
Base-Backbone interact. energy: -0.142
local terms energy: -97.908392
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -13.084
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: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -276.876785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.876785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.876785 (E_RNA)
where:
Base-Base interactions energy: -187.337
where: short stacking energy: -80.026
Base-Backbone interact. energy: -0.602
local terms energy: -88.936988
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -25.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -255.726630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.726630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.726630 (E_RNA)
where:
Base-Base interactions energy: -170.968
where: short stacking energy: -76.736
Base-Backbone interact. energy: -0.654
local terms energy: -84.105085
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -21.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -218.068329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.068329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.068329 (E_RNA)
where:
Base-Base interactions energy: -145.944
where: short stacking energy: -57.205
Base-Backbone interact. energy: -0.087
local terms energy: -72.037322
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -15.041
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: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -213.012472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.012472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.012472 (E_RNA)
where:
Base-Base interactions energy: -145.167
where: short stacking energy: -60.914
Base-Backbone interact. energy: -0.188
local terms energy: -67.657391
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -227.894198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.894198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.894198 (E_RNA)
where:
Base-Base interactions energy: -145.990
where: short stacking energy: -71.430
Base-Backbone interact. energy: -0.012
local terms energy: -81.892124
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -18.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -103.541264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.541264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.541264 (E_RNA)
where:
Base-Base interactions energy: -50.589
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.237
local terms energy: -52.715233
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -93.531187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.531187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.531187 (E_RNA)
where:
Base-Base interactions energy: -37.558
where: short stacking energy: -32.499
Base-Backbone interact. energy: 0.056
local terms energy: -56.028958
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -86.143138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.143138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.143138 (E_RNA)
where:
Base-Base interactions energy: -23.712
where: short stacking energy: -20.526
Base-Backbone interact. energy: -0.237
local terms energy: -62.194729
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -2.804
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: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -285.871785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.871785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.871785 (E_RNA)
where:
Base-Base interactions energy: -194.112
where: short stacking energy: -81.003
Base-Backbone interact. energy: -0.000
local terms energy: -91.759315
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -9.292
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: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -301.691038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.691038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.691038 (E_RNA)
where:
Base-Base interactions energy: -212.242
where: short stacking energy: -86.438
Base-Backbone interact. energy: -0.108
local terms energy: -89.340486
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -25.228
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: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -276.085790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.085790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.085790 (E_RNA)
where:
Base-Base interactions energy: -186.141
where: short stacking energy: -85.162
Base-Backbone interact. energy: -0.231
local terms energy: -89.714224
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -228.339732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.339732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.339732 (E_RNA)
where:
Base-Base interactions energy: -139.131
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.286
local terms energy: -88.921995
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -245.892005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.892005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.892005 (E_RNA)
where:
Base-Base interactions energy: -160.342
where: short stacking energy: -75.477
Base-Backbone interact. energy: -0.269
local terms energy: -85.280921
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -21.828
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: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -218.490544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.490544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.490544 (E_RNA)
where:
Base-Base interactions energy: -141.738
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.099
local terms energy: -76.652927
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -205.178993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.178993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.178993 (E_RNA)
where:
Base-Base interactions energy: -131.829
where: short stacking energy: -58.100
Base-Backbone interact. energy: -0.071
local terms energy: -73.278834
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -15.250
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: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -98.954039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.954039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.954039 (E_RNA)
where:
Base-Base interactions energy: -40.325
where: short stacking energy: -35.992
Base-Backbone interact. energy: -0.186
local terms energy: -58.443385
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -11.622
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: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -106.350241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.350241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.350241 (E_RNA)
where:
Base-Base interactions energy: -51.259
where: short stacking energy: -22.961
Base-Backbone interact. energy: -0.124
local terms energy: -54.967574
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -88.509138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.509138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.509138 (E_RNA)
where:
Base-Base interactions energy: -31.566
where: short stacking energy: -24.262
Base-Backbone interact. energy: -0.144
local terms energy: -56.799301
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -295.756816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.756816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.756816 (E_RNA)
where:
Base-Base interactions energy: -199.034
where: short stacking energy: -77.687
Base-Backbone interact. energy: -0.598
local terms energy: -96.124911
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -23.457
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: 2, replica: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -291.849547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.849547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.849547 (E_RNA)
where:
Base-Base interactions energy: -200.074
where: short stacking energy: -78.421
Base-Backbone interact. energy: -0.123
local terms energy: -91.652843
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -25.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -283.195388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.195388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.195388 (E_RNA)
where:
Base-Base interactions energy: -191.334
where: short stacking energy: -87.438
Base-Backbone interact. energy: -0.030
local terms energy: -91.831194
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -27.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -232.459496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.459496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.459496 (E_RNA)
where:
Base-Base interactions energy: -148.333
where: short stacking energy: -69.865
Base-Backbone interact. energy: -0.017
local terms energy: -84.110123
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -18.126
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: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -227.205752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.205752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.205752 (E_RNA)
where:
Base-Base interactions energy: -147.843
where: short stacking energy: -63.282
Base-Backbone interact. energy: -0.219
local terms energy: -79.143857
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -208.026942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.026942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026942 (E_RNA)
where:
Base-Base interactions energy: -130.464
where: short stacking energy: -56.302
Base-Backbone interact. energy: -0.080
local terms energy: -77.483070
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -9.998
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: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -203.354652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.354652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.354652 (E_RNA)
where:
Base-Base interactions energy: -139.748
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.185
local terms energy: -63.421483
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -14.009
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: 8, replica: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -103.952415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.952415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.952415 (E_RNA)
where:
Base-Base interactions energy: -35.626
where: short stacking energy: -33.885
Base-Backbone interact. energy: 0.257
local terms energy: -68.582977
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -91.379616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.379616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.379616 (E_RNA)
where:
Base-Base interactions energy: -30.739
where: short stacking energy: -27.584
Base-Backbone interact. energy: 0.074
local terms energy: -60.714651
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -90.515265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.515265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.515265 (E_RNA)
where:
Base-Base interactions energy: -44.309
where: short stacking energy: -37.249
Base-Backbone interact. energy: -0.268
local terms energy: -45.937865
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -1.230
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -288.704997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.704997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.704997 (E_RNA)
where:
Base-Base interactions energy: -191.711
where: short stacking energy: -84.029
Base-Backbone interact. energy: -0.087
local terms energy: -96.907288
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -23.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -298.923101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.923101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.923101 (E_RNA)
where:
Base-Base interactions energy: -192.913
where: short stacking energy: -88.492
Base-Backbone interact. energy: -0.890
local terms energy: -105.120901
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -16.403
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: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -288.987468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.987468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.987468 (E_RNA)
where:
Base-Base interactions energy: -202.575
where: short stacking energy: -80.685
Base-Backbone interact. energy: -0.029
local terms energy: -86.382802
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -23.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -254.646326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.646326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.646326 (E_RNA)
where:
Base-Base interactions energy: -169.513
where: short stacking energy: -77.637
Base-Backbone interact. energy: -0.533
local terms energy: -84.599937
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -231.643683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.643683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.643683 (E_RNA)
where:
Base-Base interactions energy: -149.111
where: short stacking energy: -72.056
Base-Backbone interact. energy: 0.322
local terms energy: -82.854799
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -214.680558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.680558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.680558 (E_RNA)
where:
Base-Base interactions energy: -141.652
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.089
local terms energy: -72.939244
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -216.743515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.743515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.743515 (E_RNA)
where:
Base-Base interactions energy: -140.042
where: short stacking energy: -65.262
Base-Backbone interact. energy: -0.024
local terms energy: -76.677289
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -101.088769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.088769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.088769 (E_RNA)
where:
Base-Base interactions energy: -41.016
where: short stacking energy: -36.920
Base-Backbone interact. energy: 0.125
local terms energy: -60.197738
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -99.083260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.083260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.083260 (E_RNA)
where:
Base-Base interactions energy: -40.291
where: short stacking energy: -35.688
Base-Backbone interact. energy: -0.311
local terms energy: -58.481339
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -3.425
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: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -85.251441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.251441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.251441 (E_RNA)
where:
Base-Base interactions energy: -32.286
where: short stacking energy: -27.640
Base-Backbone interact. energy: 0.469
local terms energy: -53.433714
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: 2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -291.678184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.678184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.678184 (E_RNA)
where:
Base-Base interactions energy: -205.403
where: short stacking energy: -88.380
Base-Backbone interact. energy: -0.473
local terms energy: -85.801908
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -23.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -288.151570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.151570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.151570 (E_RNA)
where:
Base-Base interactions energy: -189.793
where: short stacking energy: -79.344
Base-Backbone interact. energy: 0.374
local terms energy: -98.731938
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -12.767
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: 3, replica: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -280.065470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.065470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.065470 (E_RNA)
where:
Base-Base interactions energy: -186.944
where: short stacking energy: -85.432
Base-Backbone interact. energy: -0.035
local terms energy: -93.086491
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -259.232953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.232953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.232953 (E_RNA)
where:
Base-Base interactions energy: -168.398
where: short stacking energy: -68.855
Base-Backbone interact. energy: -0.198
local terms energy: -90.636994
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -15.178
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: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -220.460082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.460082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.460082 (E_RNA)
where:
Base-Base interactions energy: -140.633
where: short stacking energy: -63.429
Base-Backbone interact. energy: -0.251
local terms energy: -79.575920
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -211.589837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.589837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.589837 (E_RNA)
where:
Base-Base interactions energy: -132.185
where: short stacking energy: -61.488
Base-Backbone interact. energy: 0.043
local terms energy: -79.448609
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -18.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -204.869294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.869294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.869294 (E_RNA)
where:
Base-Base interactions energy: -126.069
where: short stacking energy: -55.313
Base-Backbone interact. energy: -0.204
local terms energy: -78.595971
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -11.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -100.469140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.469140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.469140 (E_RNA)
where:
Base-Base interactions energy: -46.892
where: short stacking energy: -39.110
Base-Backbone interact. energy: -0.010
local terms energy: -53.567546
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -84.454140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.454140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.454140 (E_RNA)
where:
Base-Base interactions energy: -24.236
where: short stacking energy: -19.120
Base-Backbone interact. energy: -0.045
local terms energy: -60.172595
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -0.983
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: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -91.244502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.244502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.244502 (E_RNA)
where:
Base-Base interactions energy: -29.923
where: short stacking energy: -20.267
Base-Backbone interact. energy: -1.158
local terms energy: -60.163960
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -289.469713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.469713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.469713 (E_RNA)
where:
Base-Base interactions energy: -201.760
where: short stacking energy: -80.775
Base-Backbone interact. energy: 0.629
local terms energy: -88.338993
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -294.653582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.653582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.653582 (E_RNA)
where:
Base-Base interactions energy: -204.396
where: short stacking energy: -85.865
Base-Backbone interact. energy: 0.370
local terms energy: -90.626923
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -284.306954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.306954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.306954 (E_RNA)
where:
Base-Base interactions energy: -194.635
where: short stacking energy: -91.998
Base-Backbone interact. energy: -0.003
local terms energy: -89.668628
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -23.025
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: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -268.830153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.830153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.830153 (E_RNA)
where:
Base-Base interactions energy: -185.063
where: short stacking energy: -79.560
Base-Backbone interact. energy: -0.560
local terms energy: -83.207271
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -9.300
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: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -215.000124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.000124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.000124 (E_RNA)
where:
Base-Base interactions energy: -135.627
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.124
local terms energy: -79.249064
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -205.920092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.920092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.920092 (E_RNA)
where:
Base-Base interactions energy: -133.987
where: short stacking energy: -59.694
Base-Backbone interact. energy: 3.857
local terms energy: -75.789896
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -14.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -207.744370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.744370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.744370 (E_RNA)
where:
Base-Base interactions energy: -128.273
where: short stacking energy: -46.694
Base-Backbone interact. energy: -0.693
local terms energy: -78.778464
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -93.974928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.974928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.974928 (E_RNA)
where:
Base-Base interactions energy: -32.936
where: short stacking energy: -24.947
Base-Backbone interact. energy: 1.810
local terms energy: -62.849437
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -100.283766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.283766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.283766 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -36.905
Base-Backbone interact. energy: -1.103
local terms energy: -59.504961
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -18.277
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -92.864564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.864564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.864564 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -26.928
Base-Backbone interact. energy: -0.406
local terms energy: -52.079939
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -3.020
tors. eta vs tors. theta energy: -6.157
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: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -283.879646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.879646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.879646 (E_RNA)
where:
Base-Base interactions energy: -188.699
where: short stacking energy: -91.830
Base-Backbone interact. energy: -0.058
local terms energy: -95.122381
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -20.414
flat angles P-C4'-P energy: -14.928
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: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -290.849843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.849843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.849843 (E_RNA)
where:
Base-Base interactions energy: -195.885
where: short stacking energy: -84.570
Base-Backbone interact. energy: 0.732
local terms energy: -95.696330
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -21.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -280.186909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.186909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.186909 (E_RNA)
where:
Base-Base interactions energy: -186.073
where: short stacking energy: -80.557
Base-Backbone interact. energy: 0.415
local terms energy: -94.529758
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -278.074043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.074043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.074043 (E_RNA)
where:
Base-Base interactions energy: -191.181
where: short stacking energy: -82.424
Base-Backbone interact. energy: -0.001
local terms energy: -86.891947
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -25.441
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: 148
Temperature: 1.100000
Total energy: -225.922735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.922735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.922735 (E_RNA)
where:
Base-Base interactions energy: -147.934
where: short stacking energy: -63.762
Base-Backbone interact. energy: -0.020
local terms energy: -77.968888
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -215.347391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.347391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.347391 (E_RNA)
where:
Base-Base interactions energy: -144.333
where: short stacking energy: -58.575
Base-Backbone interact. energy: -0.111
local terms energy: -70.903378
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -12.525
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: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -189.764214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.764214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.764214 (E_RNA)
where:
Base-Base interactions energy: -123.796
where: short stacking energy: -63.578
Base-Backbone interact. energy: -0.003
local terms energy: -65.965446
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -98.961448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.961448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.961448 (E_RNA)
where:
Base-Base interactions energy: -37.670
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.208
local terms energy: -61.082726
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -6.562
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: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -105.616124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.616124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.616124 (E_RNA)
where:
Base-Base interactions energy: -44.107
where: short stacking energy: -37.936
Base-Backbone interact. energy: -0.228
local terms energy: -61.280927
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -90.524289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.524289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.524289 (E_RNA)
where:
Base-Base interactions energy: -26.793
where: short stacking energy: -20.248
Base-Backbone interact. energy: -0.060
local terms energy: -63.671701
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -290.399257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.399257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.399257 (E_RNA)
where:
Base-Base interactions energy: -198.229
where: short stacking energy: -92.414
Base-Backbone interact. energy: -0.521
local terms energy: -91.650103
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -24.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -290.098278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.098278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.098278 (E_RNA)
where:
Base-Base interactions energy: -192.150
where: short stacking energy: -93.119
Base-Backbone interact. energy: -0.246
local terms energy: -97.702346
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -24.975
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: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -274.606059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.606059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.606059 (E_RNA)
where:
Base-Base interactions energy: -188.626
where: short stacking energy: -78.508
Base-Backbone interact. energy: -0.789
local terms energy: -85.191174
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -240.971053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.971053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.971053 (E_RNA)
where:
Base-Base interactions energy: -154.089
where: short stacking energy: -77.703
Base-Backbone interact. energy: -0.012
local terms energy: -86.869649
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -12.333
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: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -267.582374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.582374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.582374 (E_RNA)
where:
Base-Base interactions energy: -182.947
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.033
local terms energy: -84.602524
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -16.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -207.870662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.870662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.870662 (E_RNA)
where:
Base-Base interactions energy: -131.949
where: short stacking energy: -51.624
Base-Backbone interact. energy: -0.073
local terms energy: -75.848346
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -10.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -206.457496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.457496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.457496 (E_RNA)
where:
Base-Base interactions energy: -132.677
where: short stacking energy: -61.269
Base-Backbone interact. energy: 0.281
local terms energy: -74.062207
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -6.900
flat angles P-C4'-P energy: -13.415
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: 8, replica: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -108.803094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.803094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.803094 (E_RNA)
where:
Base-Base interactions energy: -52.269
where: short stacking energy: -37.367
Base-Backbone interact. energy: -0.043
local terms energy: -56.491104
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -4.304
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: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -91.298810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298810 (E_RNA)
where:
Base-Base interactions energy: -30.286
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.152
local terms energy: -60.861025
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -97.748349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.748349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.748349 (E_RNA)
where:
Base-Base interactions energy: -36.858
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.473
local terms energy: -60.417336
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -300.067598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.067598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.067598 (E_RNA)
where:
Base-Base interactions energy: -207.496
where: short stacking energy: -91.522
Base-Backbone interact. energy: -0.394
local terms energy: -92.177022
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -26.507
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: 150
Temperature: 0.950000
Total energy: -284.322113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.322113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.322113 (E_RNA)
where:
Base-Base interactions energy: -193.779
where: short stacking energy: -86.652
Base-Backbone interact. energy: 0.497
local terms energy: -91.040655
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -26.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -278.135222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.135222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.135222 (E_RNA)
where:
Base-Base interactions energy: -192.964
where: short stacking energy: -74.173
Base-Backbone interact. energy: -0.144
local terms energy: -85.026518
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -233.740569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.740569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.740569 (E_RNA)
where:
Base-Base interactions energy: -152.667
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.806
local terms energy: -80.267566
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -232.186409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.186409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.186409 (E_RNA)
where:
Base-Base interactions energy: -153.949
where: short stacking energy: -62.597
Base-Backbone interact. energy: -0.010
local terms energy: -78.227145
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -19.504
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: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -259.800506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.800506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.800506 (E_RNA)
where:
Base-Base interactions energy: -171.657
where: short stacking energy: -76.671
Base-Backbone interact. energy: -0.069
local terms energy: -88.074391
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -12.559
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: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -203.299168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.299168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.299168 (E_RNA)
where:
Base-Base interactions energy: -133.112
where: short stacking energy: -57.697
Base-Backbone interact. energy: -0.081
local terms energy: -70.106215
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -12.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -104.267609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.267609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.267609 (E_RNA)
where:
Base-Base interactions energy: -37.641
where: short stacking energy: -34.318
Base-Backbone interact. energy: -0.748
local terms energy: -65.878605
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -97.831350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.831350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.831350 (E_RNA)
where:
Base-Base interactions energy: -45.679
where: short stacking energy: -34.176
Base-Backbone interact. energy: -0.230
local terms energy: -51.922999
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -7.228
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -2.847
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: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -102.419409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.419409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.419409 (E_RNA)
where:
Base-Base interactions energy: -53.109
where: short stacking energy: -28.905
Base-Backbone interact. energy: -0.167
local terms energy: -49.143398
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: 1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -301.638098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.638098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.638098 (E_RNA)
where:
Base-Base interactions energy: -196.153
where: short stacking energy: -82.471
Base-Backbone interact. energy: -0.059
local terms energy: -105.425846
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -28.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -296.402868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.402868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.402868 (E_RNA)
where:
Base-Base interactions energy: -206.353
where: short stacking energy: -75.425
Base-Backbone interact. energy: -0.076
local terms energy: -89.974034
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -24.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -287.869058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.869058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.869058 (E_RNA)
where:
Base-Base interactions energy: -188.498
where: short stacking energy: -83.976
Base-Backbone interact. energy: -0.278
local terms energy: -99.093737
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -27.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -264.508031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.508031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.508031 (E_RNA)
where:
Base-Base interactions energy: -173.743
where: short stacking energy: -70.126
Base-Backbone interact. energy: -0.575
local terms energy: -90.189931
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -22.542
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: 5, replica: 8
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -221.412874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.412874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.412874 (E_RNA)
where:
Base-Base interactions energy: -141.561
where: short stacking energy: -64.836
Base-Backbone interact. energy: 0.481
local terms energy: -80.332742
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -16.923
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: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -273.658984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.658984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.658984 (E_RNA)
where:
Base-Base interactions energy: -189.767
where: short stacking energy: -83.123
Base-Backbone interact. energy: -0.270
local terms energy: -83.621395
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -24.686
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: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -182.758066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.758066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.758066 (E_RNA)
where:
Base-Base interactions energy: -113.803
where: short stacking energy: -55.568
Base-Backbone interact. energy: -0.166
local terms energy: -68.788937
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -100.764304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.764304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.764304 (E_RNA)
where:
Base-Base interactions energy: -30.569
where: short stacking energy: -30.415
Base-Backbone interact. energy: -0.185
local terms energy: -70.010176
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -100.900678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.900678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.900678 (E_RNA)
where:
Base-Base interactions energy: -37.629
where: short stacking energy: -25.610
Base-Backbone interact. energy: 0.027
local terms energy: -63.298802
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -4.749
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: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -89.474658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.474658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.474658 (E_RNA)
where:
Base-Base interactions energy: -36.604
where: short stacking energy: -22.594
Base-Backbone interact. energy: 0.138
local terms energy: -53.008653
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -294.579218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.579218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.579218 (E_RNA)
where:
Base-Base interactions energy: -197.868
where: short stacking energy: -85.718
Base-Backbone interact. energy: -0.110
local terms energy: -96.601311
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -27.749
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: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -296.711357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.711357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.711357 (E_RNA)
where:
Base-Base interactions energy: -207.806
where: short stacking energy: -82.102
Base-Backbone interact. energy: -0.106
local terms energy: -88.799956
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -13.545
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: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -275.829102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.829102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.829102 (E_RNA)
where:
Base-Base interactions energy: -186.363
where: short stacking energy: -82.192
Base-Backbone interact. energy: 0.952
local terms energy: -90.417687
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -19.590
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: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -269.432746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.432746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.432746 (E_RNA)
where:
Base-Base interactions energy: -191.843
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.191
local terms energy: -77.398793
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -273.534313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.534313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.534313 (E_RNA)
where:
Base-Base interactions energy: -182.720
where: short stacking energy: -74.013
Base-Backbone interact. energy: -0.085
local terms energy: -90.729745
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -19.667
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -22.237
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: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -215.301470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.301470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.301470 (E_RNA)
where:
Base-Base interactions energy: -132.980
where: short stacking energy: -57.000
Base-Backbone interact. energy: -0.667
local terms energy: -81.654107
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -203.943537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.943537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.943537 (E_RNA)
where:
Base-Base interactions energy: -139.437
where: short stacking energy: -55.523
Base-Backbone interact. energy: -0.089
local terms energy: -64.417639
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -100.881781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.881781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.881781 (E_RNA)
where:
Base-Base interactions energy: -44.763
where: short stacking energy: -31.144
Base-Backbone interact. energy: -0.220
local terms energy: -55.898323
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -5.250
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -107.029423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.029423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.029423 (E_RNA)
where:
Base-Base interactions energy: -50.548
where: short stacking energy: -24.621
Base-Backbone interact. energy: -1.322
local terms energy: -55.159434
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -7.620
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: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -83.876003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.876003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.876003 (E_RNA)
where:
Base-Base interactions energy: -33.153
where: short stacking energy: -29.360
Base-Backbone interact. energy: -0.439
local terms energy: -50.284108
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -292.734202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.734202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.734202 (E_RNA)
where:
Base-Base interactions energy: -199.651
where: short stacking energy: -86.005
Base-Backbone interact. energy: -0.691
local terms energy: -92.392515
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -23.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -302.547925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.547925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.547925 (E_RNA)
where:
Base-Base interactions energy: -208.307
where: short stacking energy: -89.762
Base-Backbone interact. energy: -0.153
local terms energy: -94.088247
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -28.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -279.478143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.478143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.478143 (E_RNA)
where:
Base-Base interactions energy: -196.275
where: short stacking energy: -79.861
Base-Backbone interact. energy: -0.040
local terms energy: -83.162666
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -12.528
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: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -270.258072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.258072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.258072 (E_RNA)
where:
Base-Base interactions energy: -189.156
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.268
local terms energy: -80.833704
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -25.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -268.330525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.330525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.330525 (E_RNA)
where:
Base-Base interactions energy: -182.825
where: short stacking energy: -79.425
Base-Backbone interact. energy: -0.007
local terms energy: -85.497794
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -22.177
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: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -214.548236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.548236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.548236 (E_RNA)
where:
Base-Base interactions energy: -132.525
where: short stacking energy: -54.808
Base-Backbone interact. energy: -0.076
local terms energy: -81.946949
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -162.902366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.902366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.902366 (E_RNA)
where:
Base-Base interactions energy: -95.817
where: short stacking energy: -37.533
Base-Backbone interact. energy: -0.195
local terms energy: -66.890512
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -6.896
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: 153
Temperature: 1.250000
Total energy: -119.214313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.214313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.214313 (E_RNA)
where:
Base-Base interactions energy: -51.829
where: short stacking energy: -34.820
Base-Backbone interact. energy: -0.332
local terms energy: -67.053315
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -5.807
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: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -100.456983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.456983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.456983 (E_RNA)
where:
Base-Base interactions energy: -37.178
where: short stacking energy: -26.957
Base-Backbone interact. energy: -0.239
local terms energy: -63.039677
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -0.126
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: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -86.849038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.849038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.849038 (E_RNA)
where:
Base-Base interactions energy: -34.415
where: short stacking energy: -22.437
Base-Backbone interact. energy: 1.270
local terms energy: -53.703271
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -294.353387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.353387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.353387 (E_RNA)
where:
Base-Base interactions energy: -199.954
where: short stacking energy: -82.918
Base-Backbone interact. energy: -0.054
local terms energy: -94.345012
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -14.060
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: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -295.538322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.538322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.538322 (E_RNA)
where:
Base-Base interactions energy: -202.971
where: short stacking energy: -86.199
Base-Backbone interact. energy: -0.087
local terms energy: -92.480434
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -268.055386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.055386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.055386 (E_RNA)
where:
Base-Base interactions energy: -180.271
where: short stacking energy: -68.388
Base-Backbone interact. energy: -0.211
local terms energy: -87.573593
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -283.447636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.447636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.447636 (E_RNA)
where:
Base-Base interactions energy: -191.368
where: short stacking energy: -78.482
Base-Backbone interact. energy: -0.044
local terms energy: -92.035683
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -13.127
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: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -252.913922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.913922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.913922 (E_RNA)
where:
Base-Base interactions energy: -165.850
where: short stacking energy: -69.427
Base-Backbone interact. energy: -0.302
local terms energy: -86.761917
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -208.426301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.426301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.426301 (E_RNA)
where:
Base-Base interactions energy: -134.044
where: short stacking energy: -53.126
Base-Backbone interact. energy: -0.108
local terms energy: -74.274715
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -15.646
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: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -170.447398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.447398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.447398 (E_RNA)
where:
Base-Base interactions energy: -101.314
where: short stacking energy: -45.814
Base-Backbone interact. energy: -0.723
local terms energy: -68.411155
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -10.479
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: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -104.500287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.500287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.500287 (E_RNA)
where:
Base-Base interactions energy: -42.295
where: short stacking energy: -31.456
Base-Backbone interact. energy: -0.772
local terms energy: -61.432507
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -3.645
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: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -97.398621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.398621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.398621 (E_RNA)
where:
Base-Base interactions energy: -32.277
where: short stacking energy: -24.189
Base-Backbone interact. energy: 0.041
local terms energy: -65.161893
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -95.237018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.237018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.237018 (E_RNA)
where:
Base-Base interactions energy: -40.623
where: short stacking energy: -30.426
Base-Backbone interact. energy: -0.372
local terms energy: -54.242464
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -2.389
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: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -295.656502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.656502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.656502 (E_RNA)
where:
Base-Base interactions energy: -195.604
where: short stacking energy: -90.400
Base-Backbone interact. energy: -0.108
local terms energy: -99.944385
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -27.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -269.319173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.319173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.319173 (E_RNA)
where:
Base-Base interactions energy: -193.808
where: short stacking energy: -78.381
Base-Backbone interact. energy: -0.229
local terms energy: -75.282139
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -5.794
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: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -283.247796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.247796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.247796 (E_RNA)
where:
Base-Base interactions energy: -183.158
where: short stacking energy: -73.659
Base-Backbone interact. energy: -0.050
local terms energy: -100.039716
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -26.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -280.511609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.511609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.511609 (E_RNA)
where:
Base-Base interactions energy: -191.911
where: short stacking energy: -78.448
Base-Backbone interact. energy: -0.423
local terms energy: -88.177554
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -11.507
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: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -276.620586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.620586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.620586 (E_RNA)
where:
Base-Base interactions energy: -182.763
where: short stacking energy: -75.248
Base-Backbone interact. energy: -0.010
local terms energy: -93.848151
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -13.891
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: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -213.273518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.273518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.273518 (E_RNA)
where:
Base-Base interactions energy: -144.830
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.299
local terms energy: -68.144861
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -222.194575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.194575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.194575 (E_RNA)
where:
Base-Base interactions energy: -141.960
where: short stacking energy: -63.832
Base-Backbone interact. energy: -0.010
local terms energy: -80.224903
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -18.227
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: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -98.867026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.867026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.867026 (E_RNA)
where:
Base-Base interactions energy: -35.754
where: short stacking energy: -35.754
Base-Backbone interact. energy: -0.232
local terms energy: -62.880900
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -3.124
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: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -86.843246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.843246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.843246 (E_RNA)
where:
Base-Base interactions energy: -29.490
where: short stacking energy: -30.238
Base-Backbone interact. energy: -0.251
local terms energy: -57.102135
where:
bonds (distance) C4'-P energy: -8.007
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -11.881
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: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -85.082123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.082123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.082123 (E_RNA)
where:
Base-Base interactions energy: -37.733
where: short stacking energy: -29.813
Base-Backbone interact. energy: -0.203
local terms energy: -47.146713
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -5.074
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -295.519245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.519245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.519245 (E_RNA)
where:
Base-Base interactions energy: -195.062
where: short stacking energy: -95.834
Base-Backbone interact. energy: -0.036
local terms energy: -100.420411
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -14.603
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: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -274.278369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.278369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.278369 (E_RNA)
where:
Base-Base interactions energy: -186.490
where: short stacking energy: -70.733
Base-Backbone interact. energy: -0.316
local terms energy: -87.472052
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -283.070392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.070392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.070392 (E_RNA)
where:
Base-Base interactions energy: -193.292
where: short stacking energy: -80.281
Base-Backbone interact. energy: -0.001
local terms energy: -89.777357
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -26.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -276.153809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.153809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.153809 (E_RNA)
where:
Base-Base interactions energy: -185.759
where: short stacking energy: -88.780
Base-Backbone interact. energy: -0.016
local terms energy: -90.378212
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -26.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -254.825377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.825377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.825377 (E_RNA)
where:
Base-Base interactions energy: -169.487
where: short stacking energy: -73.718
Base-Backbone interact. energy: -0.039
local terms energy: -85.299906
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -211.818030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.818030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.818030 (E_RNA)
where:
Base-Base interactions energy: -137.656
where: short stacking energy: -61.906
Base-Backbone interact. energy: -0.212
local terms energy: -73.950446
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -219.192326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.192326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.192326 (E_RNA)
where:
Base-Base interactions energy: -148.906
where: short stacking energy: -52.640
Base-Backbone interact. energy: -0.339
local terms energy: -69.947676
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -11.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -120.539208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.539208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.539208 (E_RNA)
where:
Base-Base interactions energy: -56.532
where: short stacking energy: -45.714
Base-Backbone interact. energy: -0.362
local terms energy: -63.645188
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -98.092249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.092249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.092249 (E_RNA)
where:
Base-Base interactions energy: -44.488
where: short stacking energy: -25.907
Base-Backbone interact. energy: 0.136
local terms energy: -53.740599
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -2.137
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: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -89.548431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.548431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.548431 (E_RNA)
where:
Base-Base interactions energy: -31.546
where: short stacking energy: -28.894
Base-Backbone interact. energy: -0.019
local terms energy: -57.983749
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -5.475
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: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -280.933836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.933836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.933836 (E_RNA)
where:
Base-Base interactions energy: -188.781
where: short stacking energy: -81.985
Base-Backbone interact. energy: 2.714
local terms energy: -94.866695
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -26.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -277.151472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.151472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.151472 (E_RNA)
where:
Base-Base interactions energy: -184.252
where: short stacking energy: -82.433
Base-Backbone interact. energy: -0.009
local terms energy: -92.890179
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -22.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -272.934854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.934854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.934854 (E_RNA)
where:
Base-Base interactions energy: -188.434
where: short stacking energy: -77.242
Base-Backbone interact. energy: -0.260
local terms energy: -84.241200
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -274.369670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.369670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.369670 (E_RNA)
where:
Base-Base interactions energy: -181.679
where: short stacking energy: -81.927
Base-Backbone interact. energy: -0.050
local terms energy: -92.641177
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -27.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -253.356401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.356401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.356401 (E_RNA)
where:
Base-Base interactions energy: -169.284
where: short stacking energy: -73.984
Base-Backbone interact. energy: -0.026
local terms energy: -84.047203
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -23.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -209.511994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.511994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.511994 (E_RNA)
where:
Base-Base interactions energy: -141.981
where: short stacking energy: -59.388
Base-Backbone interact. energy: -0.046
local terms energy: -67.485268
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -12.994
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: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -210.943631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.943631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.943631 (E_RNA)
where:
Base-Base interactions energy: -132.890
where: short stacking energy: -55.441
Base-Backbone interact. energy: -0.169
local terms energy: -77.884897
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -16.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -92.168914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.168914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.168914 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -21.535
Base-Backbone interact. energy: 1.793
local terms energy: -57.274326
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: 2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -82.450892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.450892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.450892 (E_RNA)
where:
Base-Base interactions energy: -24.081
where: short stacking energy: -22.769
Base-Backbone interact. energy: -0.266
local terms energy: -58.104057
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -1.403
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: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -89.964282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.964282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.964282 (E_RNA)
where:
Base-Base interactions energy: -22.605
where: short stacking energy: -22.605
Base-Backbone interact. energy: -0.137
local terms energy: -67.222329
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: 0.700
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: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -288.902907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.902907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.902907 (E_RNA)
where:
Base-Base interactions energy: -185.679
where: short stacking energy: -89.510
Base-Backbone interact. energy: -0.004
local terms energy: -103.220010
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -29.622
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: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -272.315277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.315277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.315277 (E_RNA)
where:
Base-Base interactions energy: -179.858
where: short stacking energy: -79.814
Base-Backbone interact. energy: -0.882
local terms energy: -91.574977
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -15.096
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: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -287.424022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.424022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.424022 (E_RNA)
where:
Base-Base interactions energy: -194.039
where: short stacking energy: -77.763
Base-Backbone interact. energy: -0.066
local terms energy: -93.319893
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -14.766
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: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -262.039356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.039356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.039356 (E_RNA)
where:
Base-Base interactions energy: -173.793
where: short stacking energy: -65.848
Base-Backbone interact. energy: 0.149
local terms energy: -88.395206
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -23.945
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: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -245.528916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.528916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.528916 (E_RNA)
where:
Base-Base interactions energy: -170.735
where: short stacking energy: -70.841
Base-Backbone interact. energy: -0.636
local terms energy: -74.158283
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -19.846
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: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -228.789874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.789874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.789874 (E_RNA)
where:
Base-Base interactions energy: -157.322
where: short stacking energy: -57.124
Base-Backbone interact. energy: 0.090
local terms energy: -71.558541
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -215.848953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.848953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.848953 (E_RNA)
where:
Base-Base interactions energy: -141.070
where: short stacking energy: -58.743
Base-Backbone interact. energy: 0.634
local terms energy: -75.413191
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -95.955694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.955694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.955694 (E_RNA)
where:
Base-Base interactions energy: -33.606
where: short stacking energy: -33.606
Base-Backbone interact. energy: 0.243
local terms energy: -62.592244
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.154
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: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -100.946583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.946583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.946583 (E_RNA)
where:
Base-Base interactions energy: -29.815
where: short stacking energy: -29.815
Base-Backbone interact. energy: -0.175
local terms energy: -70.956535
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -88.796765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.796765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.796765 (E_RNA)
where:
Base-Base interactions energy: -36.802
where: short stacking energy: -18.097
Base-Backbone interact. energy: -0.548
local terms energy: -51.446889
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: 2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -291.936325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.936325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.936325 (E_RNA)
where:
Base-Base interactions energy: -190.641
where: short stacking energy: -85.086
Base-Backbone interact. energy: -0.008
local terms energy: -101.287005
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -29.790
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: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -280.110918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.110918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.110918 (E_RNA)
where:
Base-Base interactions energy: -185.509
where: short stacking energy: -75.453
Base-Backbone interact. energy: -0.063
local terms energy: -94.539075
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -25.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -286.186703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.186703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.186703 (E_RNA)
where:
Base-Base interactions energy: -197.773
where: short stacking energy: -92.297
Base-Backbone interact. energy: -0.011
local terms energy: -88.403034
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -26.560
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: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -259.368907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.368907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.368907 (E_RNA)
where:
Base-Base interactions energy: -168.762
where: short stacking energy: -71.157
Base-Backbone interact. energy: 0.067
local terms energy: -90.674047
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -15.780
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: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -257.779516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.779516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.779516 (E_RNA)
where:
Base-Base interactions energy: -176.819
where: short stacking energy: -69.503
Base-Backbone interact. energy: -0.060
local terms energy: -80.900277
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -232.392143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.392143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.392143 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -51.255
Base-Backbone interact. energy: -0.058
local terms energy: -85.293699
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -20.823
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: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -211.950675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.950675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.950675 (E_RNA)
where:
Base-Base interactions energy: -136.671
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.161
local terms energy: -75.118802
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -102.956020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.956020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.956020 (E_RNA)
where:
Base-Base interactions energy: -45.851
where: short stacking energy: -35.138
Base-Backbone interact. energy: -0.301
local terms energy: -56.803672
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: 0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -90.960730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.960730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.960730 (E_RNA)
where:
Base-Base interactions energy: -36.701
where: short stacking energy: -18.746
Base-Backbone interact. energy: 0.689
local terms energy: -54.948703
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: 1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -85.692823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.692823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.692823 (E_RNA)
where:
Base-Base interactions energy: -34.195
where: short stacking energy: -25.514
Base-Backbone interact. energy: -0.379
local terms energy: -51.118710
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -3.357
tors. eta vs tors. theta energy: 1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -290.838642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.838642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.838642 (E_RNA)
where:
Base-Base interactions energy: -187.461
where: short stacking energy: -87.342
Base-Backbone interact. energy: -0.005
local terms energy: -103.372660
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -29.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -283.774225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.774225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.774225 (E_RNA)
where:
Base-Base interactions energy: -184.316
where: short stacking energy: -90.154
Base-Backbone interact. energy: -0.016
local terms energy: -99.441708
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -29.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -282.845754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.845754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.845754 (E_RNA)
where:
Base-Base interactions energy: -188.954
where: short stacking energy: -77.991
Base-Backbone interact. energy: -0.088
local terms energy: -93.803690
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -271.251084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.251084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.251084 (E_RNA)
where:
Base-Base interactions energy: -185.875
where: short stacking energy: -79.872
Base-Backbone interact. energy: -0.277
local terms energy: -85.099311
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -257.503569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.503569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.503569 (E_RNA)
where:
Base-Base interactions energy: -177.981
where: short stacking energy: -71.508
Base-Backbone interact. energy: 0.265
local terms energy: -79.787405
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -217.835059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.835059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.835059 (E_RNA)
where:
Base-Base interactions energy: -136.598
where: short stacking energy: -60.352
Base-Backbone interact. energy: -0.094
local terms energy: -81.142806
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -15.279
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: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -210.218581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.218581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.218581 (E_RNA)
where:
Base-Base interactions energy: -134.193
where: short stacking energy: -63.263
Base-Backbone interact. energy: -1.943
local terms energy: -74.082859
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -107.897458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.897458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.897458 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -37.862
Base-Backbone interact. energy: -0.160
local terms energy: -69.875633
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -7.874
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: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -94.577044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.577044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.577044 (E_RNA)
where:
Base-Base interactions energy: -36.482
where: short stacking energy: -29.487
Base-Backbone interact. energy: -0.297
local terms energy: -57.798533
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -88.600326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.600326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.600326 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -30.481
Base-Backbone interact. energy: -0.058
local terms energy: -54.532668
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -289.995343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.995343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.995343 (E_RNA)
where:
Base-Base interactions energy: -190.576
where: short stacking energy: -85.435
Base-Backbone interact. energy: -0.060
local terms energy: -99.359642
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -25.251
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: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -288.257333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.257333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.257333 (E_RNA)
where:
Base-Base interactions energy: -182.956
where: short stacking energy: -80.506
Base-Backbone interact. energy: -0.014
local terms energy: -105.286970
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -15.796
tors. eta vs tors. theta energy: -28.659
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: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -278.549312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.549312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.549312 (E_RNA)
where:
Base-Base interactions energy: -201.334
where: short stacking energy: -89.831
Base-Backbone interact. energy: -0.109
local terms energy: -77.106596
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -8.971
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: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -280.453233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.453233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.453233 (E_RNA)
where:
Base-Base interactions energy: -189.988
where: short stacking energy: -82.794
Base-Backbone interact. energy: -0.601
local terms energy: -89.864445
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -22.818
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: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -262.251163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.251163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.251163 (E_RNA)
where:
Base-Base interactions energy: -173.880
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.079
local terms energy: -88.292403
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -10.583
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: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -214.871631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.871631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.871631 (E_RNA)
where:
Base-Base interactions energy: -137.495
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.168
local terms energy: -77.209418
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -11.691
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: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -248.117384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.117384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.117384 (E_RNA)
where:
Base-Base interactions energy: -168.003
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.199
local terms energy: -79.915776
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -102.782253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.782253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.782253 (E_RNA)
where:
Base-Base interactions energy: -44.371
where: short stacking energy: -37.037
Base-Backbone interact. energy: -0.234
local terms energy: -58.176763
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -6.930
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: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -101.792077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.792077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.792077 (E_RNA)
where:
Base-Base interactions energy: -34.987
where: short stacking energy: -34.987
Base-Backbone interact. energy: 0.054
local terms energy: -66.859541
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -86.825633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.825633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.825633 (E_RNA)
where:
Base-Base interactions energy: -35.773
where: short stacking energy: -35.773
Base-Backbone interact. energy: -0.040
local terms energy: -51.012585
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -289.355491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.355491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.355491 (E_RNA)
where:
Base-Base interactions energy: -188.649
where: short stacking energy: -81.693
Base-Backbone interact. energy: -0.016
local terms energy: -100.690661
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -28.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -281.046349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.046349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.046349 (E_RNA)
where:
Base-Base interactions energy: -191.870
where: short stacking energy: -82.816
Base-Backbone interact. energy: -0.021
local terms energy: -89.154889
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -25.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -275.681441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.681441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.681441 (E_RNA)
where:
Base-Base interactions energy: -188.278
where: short stacking energy: -77.494
Base-Backbone interact. energy: 0.368
local terms energy: -87.772340
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -13.813
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: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -278.125908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.125908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.125908 (E_RNA)
where:
Base-Base interactions energy: -184.150
where: short stacking energy: -89.818
Base-Backbone interact. energy: -0.023
local terms energy: -93.952506
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -27.943
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: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -268.783628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.783628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.783628 (E_RNA)
where:
Base-Base interactions energy: -189.473
where: short stacking energy: -66.323
Base-Backbone interact. energy: 1.474
local terms energy: -80.784465
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -25.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -206.582588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.582588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.582588 (E_RNA)
where:
Base-Base interactions energy: -133.515
where: short stacking energy: -56.462
Base-Backbone interact. energy: 0.186
local terms energy: -73.254137
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -12.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -207.014451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.014451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.014451 (E_RNA)
where:
Base-Base interactions energy: -132.173
where: short stacking energy: -49.576
Base-Backbone interact. energy: -0.719
local terms energy: -74.123304
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -11.577
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: 162
Temperature: 1.250000
Total energy: -110.247758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.247758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.247758 (E_RNA)
where:
Base-Base interactions energy: -44.729
where: short stacking energy: -37.154
Base-Backbone interact. energy: -0.362
local terms energy: -65.156607
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -9.110
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: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -89.436935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.436935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.436935 (E_RNA)
where:
Base-Base interactions energy: -34.802
where: short stacking energy: -30.921
Base-Backbone interact. energy: -0.017
local terms energy: -54.618084
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -121.026069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.026069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.026069 (E_RNA)
where:
Base-Base interactions energy: -62.820
where: short stacking energy: -34.826
Base-Backbone interact. energy: -0.035
local terms energy: -58.170211
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -291.067164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.067164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.067164 (E_RNA)
where:
Base-Base interactions energy: -192.162
where: short stacking energy: -87.037
Base-Backbone interact. energy: -0.040
local terms energy: -98.865685
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -27.424
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: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -281.620812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.620812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.620812 (E_RNA)
where:
Base-Base interactions energy: -187.928
where: short stacking energy: -71.084
Base-Backbone interact. energy: 0.324
local terms energy: -94.016244
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -23.481
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: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -298.629460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.629460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.629460 (E_RNA)
where:
Base-Base interactions energy: -200.146
where: short stacking energy: -84.802
Base-Backbone interact. energy: -0.311
local terms energy: -98.172911
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -24.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -277.586427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.586427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.586427 (E_RNA)
where:
Base-Base interactions energy: -191.735
where: short stacking energy: -72.674
Base-Backbone interact. energy: -0.124
local terms energy: -85.727880
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -269.340015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.340015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.340015 (E_RNA)
where:
Base-Base interactions energy: -182.099
where: short stacking energy: -74.377
Base-Backbone interact. energy: -0.912
local terms energy: -86.328869
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -24.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -220.527631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.527631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.527631 (E_RNA)
where:
Base-Base interactions energy: -144.562
where: short stacking energy: -62.840
Base-Backbone interact. energy: -0.075
local terms energy: -75.890116
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -207.354851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.354851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.354851 (E_RNA)
where:
Base-Base interactions energy: -131.058
where: short stacking energy: -51.437
Base-Backbone interact. energy: -0.223
local terms energy: -76.073510
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -12.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -93.121541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.121541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.121541 (E_RNA)
where:
Base-Base interactions energy: -36.765
where: short stacking energy: -28.132
Base-Backbone interact. energy: -0.166
local terms energy: -56.190168
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: 1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -86.845322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.845322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.845322 (E_RNA)
where:
Base-Base interactions energy: -32.032
where: short stacking energy: -29.210
Base-Backbone interact. energy: -0.048
local terms energy: -54.765263
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -83.868219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.868219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.868219 (E_RNA)
where:
Base-Base interactions energy: -27.932
where: short stacking energy: -27.932
Base-Backbone interact. energy: -0.003
local terms energy: -55.933383
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -292.023295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.023295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.023295 (E_RNA)
where:
Base-Base interactions energy: -196.330
where: short stacking energy: -85.742
Base-Backbone interact. energy: -0.003
local terms energy: -95.690704
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -25.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -286.340481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.340481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.340481 (E_RNA)
where:
Base-Base interactions energy: -192.143
where: short stacking energy: -89.199
Base-Backbone interact. energy: -0.012
local terms energy: -94.185425
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -14.295
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: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -281.655088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.655088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.655088 (E_RNA)
where:
Base-Base interactions energy: -194.576
where: short stacking energy: -73.855
Base-Backbone interact. energy: -0.184
local terms energy: -86.895464
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -7.680
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: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -285.573299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.573299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.573299 (E_RNA)
where:
Base-Base interactions energy: -192.986
where: short stacking energy: -77.648
Base-Backbone interact. energy: -0.125
local terms energy: -92.462925
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -12.684
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: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -258.191407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.191407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.191407 (E_RNA)
where:
Base-Base interactions energy: -171.235
where: short stacking energy: -73.836
Base-Backbone interact. energy: -0.063
local terms energy: -86.893567
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -22.491
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: 164
Temperature: 1.150000
Total energy: -224.215572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.215572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.215572 (E_RNA)
where:
Base-Base interactions energy: -144.498
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.004
local terms energy: -79.714288
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -207.555762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.555762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.555762 (E_RNA)
where:
Base-Base interactions energy: -130.071
where: short stacking energy: -54.752
Base-Backbone interact. energy: -0.058
local terms energy: -77.426479
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -14.216
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: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -98.933662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.933662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.933662 (E_RNA)
where:
Base-Base interactions energy: -28.809
where: short stacking energy: -26.095
Base-Backbone interact. energy: -0.195
local terms energy: -69.929419
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -86.968563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.968563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.968563 (E_RNA)
where:
Base-Base interactions energy: -27.577
where: short stacking energy: -18.770
Base-Backbone interact. energy: -0.851
local terms energy: -58.540676
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -7.703
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: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -83.019347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.019347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.019347 (E_RNA)
where:
Base-Base interactions energy: -41.278
where: short stacking energy: -26.938
Base-Backbone interact. energy: 1.685
local terms energy: -43.426619
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: 2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -291.539474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.539474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.539474 (E_RNA)
where:
Base-Base interactions energy: -198.862
where: short stacking energy: -83.454
Base-Backbone interact. energy: -0.085
local terms energy: -92.592332
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -10.347
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: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -288.398014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.398014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.398014 (E_RNA)
where:
Base-Base interactions energy: -199.023
where: short stacking energy: -86.791
Base-Backbone interact. energy: -0.001
local terms energy: -89.373954
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -16.334
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: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -287.642597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.642597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.642597 (E_RNA)
where:
Base-Base interactions energy: -203.539
where: short stacking energy: -78.103
Base-Backbone interact. energy: -0.014
local terms energy: -84.090000
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -21.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -268.827030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.827030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.827030 (E_RNA)
where:
Base-Base interactions energy: -181.835
where: short stacking energy: -86.635
Base-Backbone interact. energy: -0.176
local terms energy: -86.816141
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -23.737
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: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -240.949161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.949161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.949161 (E_RNA)
where:
Base-Base interactions energy: -149.561
where: short stacking energy: -71.724
Base-Backbone interact. energy: -0.018
local terms energy: -91.370306
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -230.072471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.072471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.072471 (E_RNA)
where:
Base-Base interactions energy: -140.568
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.123
local terms energy: -89.381716
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -24.121
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: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -207.818646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.818646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.818646 (E_RNA)
where:
Base-Base interactions energy: -137.852
where: short stacking energy: -56.639
Base-Backbone interact. energy: 0.670
local terms energy: -70.636243
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -4.604
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -101.858651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.858651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.858651 (E_RNA)
where:
Base-Base interactions energy: -42.693
where: short stacking energy: -32.072
Base-Backbone interact. energy: -0.128
local terms energy: -59.037665
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -95.705551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.705551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.705551 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -32.316
Base-Backbone interact. energy: -0.058
local terms energy: -63.732269
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -90.804835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.804835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.804835 (E_RNA)
where:
Base-Base interactions energy: -30.205
where: short stacking energy: -26.869
Base-Backbone interact. energy: 2.630
local terms energy: -63.229961
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -12.582
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: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -285.600431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.600431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.600431 (E_RNA)
where:
Base-Base interactions energy: -195.712
where: short stacking energy: -82.156
Base-Backbone interact. energy: -0.124
local terms energy: -89.763932
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.241
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: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -286.072803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.072803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.072803 (E_RNA)
where:
Base-Base interactions energy: -190.672
where: short stacking energy: -76.881
Base-Backbone interact. energy: -0.103
local terms energy: -95.297677
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -15.188
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: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -284.096854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.096854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.096854 (E_RNA)
where:
Base-Base interactions energy: -187.488
where: short stacking energy: -85.119
Base-Backbone interact. energy: -0.074
local terms energy: -96.534377
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -16.615
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -261.693160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.693160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.693160 (E_RNA)
where:
Base-Base interactions energy: -186.509
where: short stacking energy: -69.963
Base-Backbone interact. energy: -0.186
local terms energy: -74.998431
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -8.584
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: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -224.208388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.208388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.208388 (E_RNA)
where:
Base-Base interactions energy: -145.355
where: short stacking energy: -74.714
Base-Backbone interact. energy: 1.045
local terms energy: -79.898119
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -12.184
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: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -243.302829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.302829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.302829 (E_RNA)
where:
Base-Base interactions energy: -166.592
where: short stacking energy: -64.813
Base-Backbone interact. energy: -0.136
local terms energy: -76.575154
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -208.254135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.254135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.254135 (E_RNA)
where:
Base-Base interactions energy: -131.111
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.067
local terms energy: -77.076233
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -100.592296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.592296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.592296 (E_RNA)
where:
Base-Base interactions energy: -31.482
where: short stacking energy: -18.769
Base-Backbone interact. energy: 0.113
local terms energy: -69.223632
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -13.755
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: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -94.677353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.677353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.677353 (E_RNA)
where:
Base-Base interactions energy: -39.323
where: short stacking energy: -37.047
Base-Backbone interact. energy: -1.379
local terms energy: -53.975579
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -100.726671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.726671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.726671 (E_RNA)
where:
Base-Base interactions energy: -37.980
where: short stacking energy: -40.636
Base-Backbone interact. energy: -0.202
local terms energy: -62.545106
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -295.881199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.881199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.881199 (E_RNA)
where:
Base-Base interactions energy: -204.668
where: short stacking energy: -92.227
Base-Backbone interact. energy: -0.278
local terms energy: -90.934792
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -23.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -292.177795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.177795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.177795 (E_RNA)
where:
Base-Base interactions energy: -197.847
where: short stacking energy: -84.129
Base-Backbone interact. energy: -0.117
local terms energy: -94.214152
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -26.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -281.816099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.816099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.816099 (E_RNA)
where:
Base-Base interactions energy: -181.767
where: short stacking energy: -75.741
Base-Backbone interact. energy: -0.058
local terms energy: -99.990401
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -25.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -261.134604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.134604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.134604 (E_RNA)
where:
Base-Base interactions energy: -181.457
where: short stacking energy: -75.279
Base-Backbone interact. energy: -0.092
local terms energy: -79.585682
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -221.914470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.914470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.914470 (E_RNA)
where:
Base-Base interactions energy: -146.300
where: short stacking energy: -63.213
Base-Backbone interact. energy: -1.291
local terms energy: -74.323951
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -10.074
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: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -223.429879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.429879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.429879 (E_RNA)
where:
Base-Base interactions energy: -143.456
where: short stacking energy: -63.219
Base-Backbone interact. energy: -0.003
local terms energy: -79.971170
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -240.135839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.135839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.135839 (E_RNA)
where:
Base-Base interactions energy: -165.616
where: short stacking energy: -62.967
Base-Backbone interact. energy: -0.799
local terms energy: -73.720939
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -18.249
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: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -95.032488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.032488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.032488 (E_RNA)
where:
Base-Base interactions energy: -28.518
where: short stacking energy: -27.618
Base-Backbone interact. energy: 0.505
local terms energy: -67.019351
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -85.395036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.395036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.395036 (E_RNA)
where:
Base-Base interactions energy: -28.429
where: short stacking energy: -25.589
Base-Backbone interact. energy: 1.526
local terms energy: -58.492154
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -97.769756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.769756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.769756 (E_RNA)
where:
Base-Base interactions energy: -47.654
where: short stacking energy: -26.513
Base-Backbone interact. energy: 0.909
local terms energy: -51.024682
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: 0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -295.876995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.876995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.876995 (E_RNA)
where:
Base-Base interactions energy: -199.674
where: short stacking energy: -85.482
Base-Backbone interact. energy: -0.644
local terms energy: -95.558782
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -26.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -292.893298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.893298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.893298 (E_RNA)
where:
Base-Base interactions energy: -194.465
where: short stacking energy: -84.019
Base-Backbone interact. energy: -0.096
local terms energy: -98.332476
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -27.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -281.788613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.788613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.788613 (E_RNA)
where:
Base-Base interactions energy: -196.398
where: short stacking energy: -77.438
Base-Backbone interact. energy: -0.592
local terms energy: -84.799149
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -24.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -270.881708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.881708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.881708 (E_RNA)
where:
Base-Base interactions energy: -185.658
where: short stacking energy: -74.806
Base-Backbone interact. energy: -0.132
local terms energy: -85.091474
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -10.926
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: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -221.562919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.562919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.562919 (E_RNA)
where:
Base-Base interactions energy: -133.869
where: short stacking energy: -59.023
Base-Backbone interact. energy: -0.391
local terms energy: -87.303102
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -15.566
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: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -207.386102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.386102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.386102 (E_RNA)
where:
Base-Base interactions energy: -135.404
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.009
local terms energy: -71.973475
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -237.152975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.152975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.152975 (E_RNA)
where:
Base-Base interactions energy: -155.270
where: short stacking energy: -72.877
Base-Backbone interact. energy: -0.224
local terms energy: -81.659166
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -18.873
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: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -100.476574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.476574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.476574 (E_RNA)
where:
Base-Base interactions energy: -37.052
where: short stacking energy: -37.052
Base-Backbone interact. energy: -0.120
local terms energy: -63.304323
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -11.826
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: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -93.612676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.612676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.612676 (E_RNA)
where:
Base-Base interactions energy: -44.803
where: short stacking energy: -21.481
Base-Backbone interact. energy: -1.071
local terms energy: -47.739213
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -1.103
tors. eta vs tors. theta energy: -0.202
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: 168
Temperature: 1.350000
Total energy: -94.369790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.369790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.369790 (E_RNA)
where:
Base-Base interactions energy: -34.114
where: short stacking energy: -19.965
Base-Backbone interact. energy: -0.059
local terms energy: -60.196915
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -294.805411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.805411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.805411 (E_RNA)
where:
Base-Base interactions energy: -196.355
where: short stacking energy: -78.799
Base-Backbone interact. energy: 0.057
local terms energy: -98.506782
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -24.368
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: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -282.444708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.444708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.444708 (E_RNA)
where:
Base-Base interactions energy: -193.155
where: short stacking energy: -81.587
Base-Backbone interact. energy: -0.070
local terms energy: -89.219014
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -294.129639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.129639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.129639 (E_RNA)
where:
Base-Base interactions energy: -200.038
where: short stacking energy: -75.265
Base-Backbone interact. energy: -0.083
local terms energy: -94.008173
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -14.040
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: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -231.232103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.232103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.232103 (E_RNA)
where:
Base-Base interactions energy: -146.198
where: short stacking energy: -68.789
Base-Backbone interact. energy: -0.012
local terms energy: -85.021876
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -259.944640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.944640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.944640 (E_RNA)
where:
Base-Base interactions energy: -178.880
where: short stacking energy: -75.153
Base-Backbone interact. energy: -0.059
local terms energy: -81.005096
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -19.224
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: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -253.553374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.553374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.553374 (E_RNA)
where:
Base-Base interactions energy: -168.845
where: short stacking energy: -73.776
Base-Backbone interact. energy: -0.091
local terms energy: -84.617393
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -12.047
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: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -211.626987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.626987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.626987 (E_RNA)
where:
Base-Base interactions energy: -133.438
where: short stacking energy: -61.740
Base-Backbone interact. energy: -0.300
local terms energy: -77.889598
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -99.894700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894700 (E_RNA)
where:
Base-Base interactions energy: -40.695
where: short stacking energy: -40.695
Base-Backbone interact. energy: -0.067
local terms energy: -59.132282
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -6.503
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -95.268338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.268338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.268338 (E_RNA)
where:
Base-Base interactions energy: -36.707
where: short stacking energy: -32.557
Base-Backbone interact. energy: 0.107
local terms energy: -58.667975
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -9.303
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -3.794
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: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -90.171920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.171920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.171920 (E_RNA)
where:
Base-Base interactions energy: -31.840
where: short stacking energy: -24.667
Base-Backbone interact. energy: 0.118
local terms energy: -58.450007
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: 2.188
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: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -303.112902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.112902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.112902 (E_RNA)
where:
Base-Base interactions energy: -208.278
where: short stacking energy: -82.032
Base-Backbone interact. energy: -0.052
local terms energy: -94.782903
where:
bonds (distance) C4'-P energy: -20.532
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -24.512
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: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -294.015537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.015537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.015537 (E_RNA)
where:
Base-Base interactions energy: -202.432
where: short stacking energy: -89.443
Base-Backbone interact. energy: -0.067
local terms energy: -91.516002
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -10.713
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: 170
Temperature: 1.000000
Total energy: -284.247948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.247948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.247948 (E_RNA)
where:
Base-Base interactions energy: -189.590
where: short stacking energy: -89.109
Base-Backbone interact. energy: -2.046
local terms energy: -92.611936
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -27.967
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: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -219.454649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.454649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.454649 (E_RNA)
where:
Base-Base interactions energy: -143.430
where: short stacking energy: -68.387
Base-Backbone interact. energy: -0.007
local terms energy: -76.018447
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -15.872
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: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -265.163581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.163581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.163581 (E_RNA)
where:
Base-Base interactions energy: -173.537
where: short stacking energy: -78.049
Base-Backbone interact. energy: -0.490
local terms energy: -91.136878
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -23.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -251.918548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.918548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.918548 (E_RNA)
where:
Base-Base interactions energy: -169.136
where: short stacking energy: -68.395
Base-Backbone interact. energy: -1.041
local terms energy: -81.741561
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -201.340579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.340579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.340579 (E_RNA)
where:
Base-Base interactions energy: -142.386
where: short stacking energy: -66.457
Base-Backbone interact. energy: 1.290
local terms energy: -60.244083
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -9.653
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -109.310648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.310648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.310648 (E_RNA)
where:
Base-Base interactions energy: -52.544
where: short stacking energy: -32.290
Base-Backbone interact. energy: -0.229
local terms energy: -56.537948
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -7.051
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: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -102.964371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.964371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.964371 (E_RNA)
where:
Base-Base interactions energy: -33.834
where: short stacking energy: -33.834
Base-Backbone interact. energy: 0.633
local terms energy: -69.763094
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -93.525657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.525657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.525657 (E_RNA)
where:
Base-Base interactions energy: -45.996
where: short stacking energy: -17.880
Base-Backbone interact. energy: -0.011
local terms energy: -47.519136
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: 6.060
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: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -297.202584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.202584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.202584 (E_RNA)
where:
Base-Base interactions energy: -198.724
where: short stacking energy: -89.009
Base-Backbone interact. energy: -0.036
local terms energy: -98.442720
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -27.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -287.210578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.210578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.210578 (E_RNA)
where:
Base-Base interactions energy: -193.959
where: short stacking energy: -88.857
Base-Backbone interact. energy: -0.045
local terms energy: -93.206684
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -26.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -283.708861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.708861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.708861 (E_RNA)
where:
Base-Base interactions energy: -197.020
where: short stacking energy: -86.185
Base-Backbone interact. energy: 0.075
local terms energy: -86.764198
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -23.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -261.336766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.336766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.336766 (E_RNA)
where:
Base-Base interactions energy: -182.575
where: short stacking energy: -79.558
Base-Backbone interact. energy: -0.199
local terms energy: -78.562740
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -224.140990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.140990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.140990 (E_RNA)
where:
Base-Base interactions energy: -147.067
where: short stacking energy: -66.283
Base-Backbone interact. energy: -0.321
local terms energy: -76.752476
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -8.425
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: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -214.447120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.447120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.447120 (E_RNA)
where:
Base-Base interactions energy: -140.653
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.064
local terms energy: -73.730288
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -17.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -240.676659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.676659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.676659 (E_RNA)
where:
Base-Base interactions energy: -163.001
where: short stacking energy: -69.918
Base-Backbone interact. energy: 0.044
local terms energy: -77.719518
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -19.425
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: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -105.451932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.451932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.451932 (E_RNA)
where:
Base-Base interactions energy: -41.976
where: short stacking energy: -30.712
Base-Backbone interact. energy: 0.593
local terms energy: -64.068905
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -12.747
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: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -89.259865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.259865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.259865 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -31.255
Base-Backbone interact. energy: 0.114
local terms energy: -57.470066
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -93.582883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.582883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.582883 (E_RNA)
where:
Base-Base interactions energy: -32.222
where: short stacking energy: -32.222
Base-Backbone interact. energy: -0.066
local terms energy: -61.294259
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -10.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -286.310069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.310069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.310069 (E_RNA)
where:
Base-Base interactions energy: -198.198
where: short stacking energy: -79.131
Base-Backbone interact. energy: -0.010
local terms energy: -88.102734
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -22.341
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: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -292.637269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.637269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.637269 (E_RNA)
where:
Base-Base interactions energy: -197.310
where: short stacking energy: -78.379
Base-Backbone interact. energy: -0.075
local terms energy: -95.252801
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -27.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -286.333374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.333374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.333374 (E_RNA)
where:
Base-Base interactions energy: -195.638
where: short stacking energy: -85.237
Base-Backbone interact. energy: -0.400
local terms energy: -90.294960
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -25.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -265.691106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.691106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.691106 (E_RNA)
where:
Base-Base interactions energy: -168.359
where: short stacking energy: -77.256
Base-Backbone interact. energy: -0.004
local terms energy: -97.328424
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -22.515
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: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -210.223106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.223106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.223106 (E_RNA)
where:
Base-Base interactions energy: -136.278
where: short stacking energy: -58.363
Base-Backbone interact. energy: -0.164
local terms energy: -73.780402
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -14.421
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: 172
Temperature: 1.150000
Total energy: -212.758480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.758480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.758480 (E_RNA)
where:
Base-Base interactions energy: -141.649
where: short stacking energy: -58.305
Base-Backbone interact. energy: -0.160
local terms energy: -70.948833
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -216.082078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.082078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.082078 (E_RNA)
where:
Base-Base interactions energy: -135.263
where: short stacking energy: -60.299
Base-Backbone interact. energy: -0.009
local terms energy: -80.809681
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -99.746248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.746248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.746248 (E_RNA)
where:
Base-Base interactions energy: -34.855
where: short stacking energy: -34.855
Base-Backbone interact. energy: -0.199
local terms energy: -64.692698
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -99.313475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.313475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.313475 (E_RNA)
where:
Base-Base interactions energy: -43.521
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.225
local terms energy: -55.567473
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -98.136277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.136277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.136277 (E_RNA)
where:
Base-Base interactions energy: -32.573
where: short stacking energy: -27.637
Base-Backbone interact. energy: -0.153
local terms energy: -65.410115
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -10.807
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: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -284.515947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.515947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.515947 (E_RNA)
where:
Base-Base interactions energy: -185.016
where: short stacking energy: -78.225
Base-Backbone interact. energy: -0.129
local terms energy: -99.370527
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -26.409
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: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -294.606950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.606950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.606950 (E_RNA)
where:
Base-Base interactions energy: -204.543
where: short stacking energy: -87.804
Base-Backbone interact. energy: 1.497
local terms energy: -91.561508
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -26.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -282.971599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.971599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.971599 (E_RNA)
where:
Base-Base interactions energy: -187.874
where: short stacking energy: -80.379
Base-Backbone interact. energy: 0.068
local terms energy: -95.164912
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -257.088427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.088427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.088427 (E_RNA)
where:
Base-Base interactions energy: -173.790
where: short stacking energy: -66.240
Base-Backbone interact. energy: -0.209
local terms energy: -83.089473
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -215.295745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.295745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.295745 (E_RNA)
where:
Base-Base interactions energy: -135.143
where: short stacking energy: -56.557
Base-Backbone interact. energy: 1.241
local terms energy: -81.393871
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -220.394400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.394400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.394400 (E_RNA)
where:
Base-Base interactions energy: -130.625
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.182
local terms energy: -89.587901
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -208.333696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.333696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.333696 (E_RNA)
where:
Base-Base interactions energy: -126.682
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.176
local terms energy: -81.475711
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -95.410874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.410874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.410874 (E_RNA)
where:
Base-Base interactions energy: -45.090
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.485
local terms energy: -49.835534
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -99.275875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.275875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.275875 (E_RNA)
where:
Base-Base interactions energy: -26.880
where: short stacking energy: -26.880
Base-Backbone interact. energy: -0.179
local terms energy: -72.216814
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -130.580330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.580330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.580330 (E_RNA)
where:
Base-Base interactions energy: -66.509
where: short stacking energy: -33.297
Base-Backbone interact. energy: -0.087
local terms energy: -63.984346
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -4.770
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: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -299.040219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.040219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.040219 (E_RNA)
where:
Base-Base interactions energy: -199.810
where: short stacking energy: -83.883
Base-Backbone interact. energy: -0.288
local terms energy: -98.942280
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -290.675885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.675885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.675885 (E_RNA)
where:
Base-Base interactions energy: -204.018
where: short stacking energy: -88.634
Base-Backbone interact. energy: -0.098
local terms energy: -86.559293
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -28.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -278.704229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.704229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.704229 (E_RNA)
where:
Base-Base interactions energy: -186.311
where: short stacking energy: -77.335
Base-Backbone interact. energy: -0.608
local terms energy: -91.785889
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -11.185
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: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -270.420401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.420401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.420401 (E_RNA)
where:
Base-Base interactions energy: -183.830
where: short stacking energy: -80.392
Base-Backbone interact. energy: -0.087
local terms energy: -86.503264
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -229.975138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.975138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.975138 (E_RNA)
where:
Base-Base interactions energy: -154.270
where: short stacking energy: -67.477
Base-Backbone interact. energy: -0.694
local terms energy: -75.010734
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -6.845
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: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -220.228480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.228480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.228480 (E_RNA)
where:
Base-Base interactions energy: -152.222
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.222
local terms energy: -67.784455
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -6.257
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: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -203.770170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.770170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.770170 (E_RNA)
where:
Base-Base interactions energy: -127.491
where: short stacking energy: -58.194
Base-Backbone interact. energy: -0.435
local terms energy: -75.844243
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -96.175109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.175109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.175109 (E_RNA)
where:
Base-Base interactions energy: -35.189
where: short stacking energy: -29.888
Base-Backbone interact. energy: -0.301
local terms energy: -60.685037
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -129.658698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.658698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.658698 (E_RNA)
where:
Base-Base interactions energy: -68.597
where: short stacking energy: -39.632
Base-Backbone interact. energy: -0.010
local terms energy: -61.051729
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -88.077087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.077087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.077087 (E_RNA)
where:
Base-Base interactions energy: -32.013
where: short stacking energy: -32.013
Base-Backbone interact. energy: -0.244
local terms energy: -55.819388
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: 2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -306.836690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.836690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.836690 (E_RNA)
where:
Base-Base interactions energy: -210.259
where: short stacking energy: -89.679
Base-Backbone interact. energy: -0.362
local terms energy: -96.216411
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -29.236
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: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -281.710917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.710917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.710917 (E_RNA)
where:
Base-Base interactions energy: -183.047
where: short stacking energy: -80.150
Base-Backbone interact. energy: 1.399
local terms energy: -100.062182
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -25.762
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: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -274.617221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.617221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.617221 (E_RNA)
where:
Base-Base interactions energy: -181.709
where: short stacking energy: -74.054
Base-Backbone interact. energy: -0.101
local terms energy: -92.807322
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -272.630113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.630113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.630113 (E_RNA)
where:
Base-Base interactions energy: -184.253
where: short stacking energy: -83.955
Base-Backbone interact. energy: 0.577
local terms energy: -88.953840
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -12.979
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: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -227.720109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.720109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.720109 (E_RNA)
where:
Base-Base interactions energy: -153.562
where: short stacking energy: -71.016
Base-Backbone interact. energy: -0.001
local terms energy: -74.157878
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -233.564058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.564058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.564058 (E_RNA)
where:
Base-Base interactions energy: -144.730
where: short stacking energy: -61.319
Base-Backbone interact. energy: -0.438
local terms energy: -88.395671
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -217.572728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.572728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.572728 (E_RNA)
where:
Base-Base interactions energy: -142.165
where: short stacking energy: -67.936
Base-Backbone interact. energy: -0.202
local terms energy: -75.204783
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -120.786673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.786673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.786673 (E_RNA)
where:
Base-Base interactions energy: -53.343
where: short stacking energy: -48.069
Base-Backbone interact. energy: -0.493
local terms energy: -66.950082
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -13.524
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: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -104.422628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.422628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.422628 (E_RNA)
where:
Base-Base interactions energy: -33.655
where: short stacking energy: -33.655
Base-Backbone interact. energy: -0.010
local terms energy: -70.758017
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -9.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -101.998614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.998614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.998614 (E_RNA)
where:
Base-Base interactions energy: -43.919
where: short stacking energy: -27.910
Base-Backbone interact. energy: -0.106
local terms energy: -57.973573
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -296.668148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.668148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.668148 (E_RNA)
where:
Base-Base interactions energy: -197.867
where: short stacking energy: -87.940
Base-Backbone interact. energy: -0.854
local terms energy: -97.947568
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -25.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -288.498412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.498412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.498412 (E_RNA)
where:
Base-Base interactions energy: -197.649
where: short stacking energy: -77.728
Base-Backbone interact. energy: -0.116
local terms energy: -90.733783
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -276.249529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.249529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.249529 (E_RNA)
where:
Base-Base interactions energy: -186.040
where: short stacking energy: -79.574
Base-Backbone interact. energy: -0.160
local terms energy: -90.049973
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -276.055280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.055280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.055280 (E_RNA)
where:
Base-Base interactions energy: -183.769
where: short stacking energy: -85.302
Base-Backbone interact. energy: -0.059
local terms energy: -92.227714
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -240.151923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.151923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.151923 (E_RNA)
where:
Base-Base interactions energy: -158.297
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.216
local terms energy: -81.638829
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -11.890
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: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -224.999803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.999803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.999803 (E_RNA)
where:
Base-Base interactions energy: -141.364
where: short stacking energy: -64.264
Base-Backbone interact. energy: -0.011
local terms energy: -83.625162
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -248.536771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.536771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.536771 (E_RNA)
where:
Base-Base interactions energy: -166.814
where: short stacking energy: -57.908
Base-Backbone interact. energy: -0.011
local terms energy: -81.711520
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -16.124
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: 176
Temperature: 1.250000
Total energy: -219.069505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.069505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.069505 (E_RNA)
where:
Base-Base interactions energy: -147.577
where: short stacking energy: -69.113
Base-Backbone interact. energy: -0.125
local terms energy: -71.367737
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -135.899536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.899536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.899536 (E_RNA)
where:
Base-Base interactions energy: -65.335
where: short stacking energy: -32.293
Base-Backbone interact. energy: -0.319
local terms energy: -70.245307
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -82.488363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.488363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.488363 (E_RNA)
where:
Base-Base interactions energy: -26.727
where: short stacking energy: -16.414
Base-Backbone interact. energy: -1.049
local terms energy: -54.712244
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -2.330
tors. eta vs tors. theta energy: -1.360
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: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -296.921833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.921833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.921833 (E_RNA)
where:
Base-Base interactions energy: -199.752
where: short stacking energy: -88.492
Base-Backbone interact. energy: -0.001
local terms energy: -97.168501
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -29.583
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: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -286.125870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.125870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.125870 (E_RNA)
where:
Base-Base interactions energy: -188.547
where: short stacking energy: -86.537
Base-Backbone interact. energy: -0.002
local terms energy: -97.576853
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -30.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -293.388419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.388419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.388419 (E_RNA)
where:
Base-Base interactions energy: -203.738
where: short stacking energy: -89.904
Base-Backbone interact. energy: -0.094
local terms energy: -89.556842
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -275.287320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.287320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.287320 (E_RNA)
where:
Base-Base interactions energy: -186.232
where: short stacking energy: -84.106
Base-Backbone interact. energy: -0.128
local terms energy: -88.926854
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -24.544
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: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -235.139639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.139639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.139639 (E_RNA)
where:
Base-Base interactions energy: -155.385
where: short stacking energy: -70.001
Base-Backbone interact. energy: -0.136
local terms energy: -79.618740
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -16.537
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: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -245.547029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.547029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.547029 (E_RNA)
where:
Base-Base interactions energy: -175.278
where: short stacking energy: -63.553
Base-Backbone interact. energy: -0.195
local terms energy: -70.074101
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -16.769
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: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -220.574045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.574045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.574045 (E_RNA)
where:
Base-Base interactions energy: -138.914
where: short stacking energy: -64.112
Base-Backbone interact. energy: 1.244
local terms energy: -82.903371
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -219.190588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.190588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.190588 (E_RNA)
where:
Base-Base interactions energy: -142.931
where: short stacking energy: -50.561
Base-Backbone interact. energy: -0.608
local terms energy: -75.651570
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -96.243964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.243964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.243964 (E_RNA)
where:
Base-Base interactions energy: -36.873
where: short stacking energy: -33.641
Base-Backbone interact. energy: 1.052
local terms energy: -60.423445
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -93.612970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.612970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.612970 (E_RNA)
where:
Base-Base interactions energy: -38.017
where: short stacking energy: -26.710
Base-Backbone interact. energy: -0.087
local terms energy: -55.509444
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -4.443
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: 6
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -298.477700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.477700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.477700 (E_RNA)
where:
Base-Base interactions energy: -200.948
where: short stacking energy: -85.908
Base-Backbone interact. energy: -0.201
local terms energy: -97.329083
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -25.607
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: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -289.814327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.814327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.814327 (E_RNA)
where:
Base-Base interactions energy: -201.737
where: short stacking energy: -88.320
Base-Backbone interact. energy: -0.112
local terms energy: -87.965743
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -274.217010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.217010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.217010 (E_RNA)
where:
Base-Base interactions energy: -180.542
where: short stacking energy: -83.164
Base-Backbone interact. energy: -0.237
local terms energy: -93.438758
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -27.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -283.589778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.589778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.589778 (E_RNA)
where:
Base-Base interactions energy: -187.987
where: short stacking energy: -78.302
Base-Backbone interact. energy: -0.666
local terms energy: -94.936576
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -218.948385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.948385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.948385 (E_RNA)
where:
Base-Base interactions energy: -138.662
where: short stacking energy: -61.186
Base-Backbone interact. energy: -0.101
local terms energy: -80.185291
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -229.404598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.404598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.404598 (E_RNA)
where:
Base-Base interactions energy: -152.772
where: short stacking energy: -60.972
Base-Backbone interact. energy: -0.109
local terms energy: -76.523516
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -194.898381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.898381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.898381 (E_RNA)
where:
Base-Base interactions energy: -121.263
where: short stacking energy: -51.142
Base-Backbone interact. energy: 0.361
local terms energy: -73.997284
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -11.919
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: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -188.894939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.894939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.894939 (E_RNA)
where:
Base-Base interactions energy: -109.920
where: short stacking energy: -58.239
Base-Backbone interact. energy: -0.126
local terms energy: -78.848938
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -14.999
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: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -94.535251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.535251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.535251 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.229
local terms energy: -63.779019
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: 1.789
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: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -97.971630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.971630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.971630 (E_RNA)
where:
Base-Base interactions energy: -43.295
where: short stacking energy: -32.554
Base-Backbone interact. energy: 0.413
local terms energy: -55.089766
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -294.669788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.669788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.669788 (E_RNA)
where:
Base-Base interactions energy: -194.938
where: short stacking energy: -83.095
Base-Backbone interact. energy: -0.124
local terms energy: -99.607738
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -15.012
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: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -286.923087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.923087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.923087 (E_RNA)
where:
Base-Base interactions energy: -195.633
where: short stacking energy: -87.230
Base-Backbone interact. energy: -0.033
local terms energy: -91.257345
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -277.031534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.031534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.031534 (E_RNA)
where:
Base-Base interactions energy: -193.602
where: short stacking energy: -79.739
Base-Backbone interact. energy: -0.122
local terms energy: -83.307728
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -284.241314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.241314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.241314 (E_RNA)
where:
Base-Base interactions energy: -199.819
where: short stacking energy: -82.958
Base-Backbone interact. energy: -0.018
local terms energy: -84.404182
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -228.394533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.394533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.394533 (E_RNA)
where:
Base-Base interactions energy: -148.446
where: short stacking energy: -62.072
Base-Backbone interact. energy: 0.013
local terms energy: -79.961172
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -17.861
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: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -206.271471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.271471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.271471 (E_RNA)
where:
Base-Base interactions energy: -136.393
where: short stacking energy: -58.897
Base-Backbone interact. energy: 1.047
local terms energy: -70.925681
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -211.864054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.864054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.864054 (E_RNA)
where:
Base-Base interactions energy: -134.080
where: short stacking energy: -62.042
Base-Backbone interact. energy: -0.631
local terms energy: -77.152844
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -99.402980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.402980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.402980 (E_RNA)
where:
Base-Base interactions energy: -33.709
where: short stacking energy: -29.344
Base-Backbone interact. energy: 0.102
local terms energy: -65.795499
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -139.927146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.927146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.927146 (E_RNA)
where:
Base-Base interactions energy: -81.602
where: short stacking energy: -34.907
Base-Backbone interact. energy: -0.501
local terms energy: -57.824413
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -92.211632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.211632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.211632 (E_RNA)
where:
Base-Base interactions energy: -29.427
where: short stacking energy: -22.882
Base-Backbone interact. energy: -0.130
local terms energy: -62.655510
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -287.531778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.531778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.531778 (E_RNA)
where:
Base-Base interactions energy: -189.370
where: short stacking energy: -84.210
Base-Backbone interact. energy: -0.003
local terms energy: -98.158416
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -28.186
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: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -297.319505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.319505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.319505 (E_RNA)
where:
Base-Base interactions energy: -197.706
where: short stacking energy: -84.334
Base-Backbone interact. energy: -2.353
local terms energy: -97.260020
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -26.144
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: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -285.954896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.954896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.954896 (E_RNA)
where:
Base-Base interactions energy: -195.672
where: short stacking energy: -81.203
Base-Backbone interact. energy: 0.771
local terms energy: -91.053332
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -24.601
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: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -258.081920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.081920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.081920 (E_RNA)
where:
Base-Base interactions energy: -166.078
where: short stacking energy: -74.264
Base-Backbone interact. energy: -0.260
local terms energy: -91.743854
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -9.172
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: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -242.402860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.402860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.402860 (E_RNA)
where:
Base-Base interactions energy: -147.896
where: short stacking energy: -68.817
Base-Backbone interact. energy: -0.117
local terms energy: -94.389742
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -22.226
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: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -226.925666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.925666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.925666 (E_RNA)
where:
Base-Base interactions energy: -152.865
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.181
local terms energy: -73.878973
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -108.938515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.938515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.938515 (E_RNA)
where:
Base-Base interactions energy: -53.368
where: short stacking energy: -22.616
Base-Backbone interact. energy: -0.130
local terms energy: -55.439825
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: 0.295
tors. eta vs tors. theta energy: -4.009
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: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -198.997316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.997316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.997316 (E_RNA)
where:
Base-Base interactions energy: -133.154
where: short stacking energy: -53.551
Base-Backbone interact. energy: 0.538
local terms energy: -66.381175
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -89.670222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.670222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.670222 (E_RNA)
where:
Base-Base interactions energy: -24.383
where: short stacking energy: -24.532
Base-Backbone interact. energy: -0.668
local terms energy: -64.619526
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -16.016
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: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -78.772634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.772634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.772634 (E_RNA)
where:
Base-Base interactions energy: -26.999
where: short stacking energy: -25.146
Base-Backbone interact. energy: 1.567
local terms energy: -53.339982
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: 0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -295.717463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.717463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.717463 (E_RNA)
where:
Base-Base interactions energy: -205.212
where: short stacking energy: -78.544
Base-Backbone interact. energy: -0.081
local terms energy: -90.424613
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -12.319
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: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -291.715140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.715140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.715140 (E_RNA)
where:
Base-Base interactions energy: -197.887
where: short stacking energy: -80.518
Base-Backbone interact. energy: 0.126
local terms energy: -93.954235
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -285.837796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.837796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.837796 (E_RNA)
where:
Base-Base interactions energy: -196.549
where: short stacking energy: -82.833
Base-Backbone interact. energy: -0.024
local terms energy: -89.265210
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -24.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -237.063075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.063075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.063075 (E_RNA)
where:
Base-Base interactions energy: -159.418
where: short stacking energy: -75.936
Base-Backbone interact. energy: -0.001
local terms energy: -77.644076
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -9.503
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: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -248.285354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.285354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.285354 (E_RNA)
where:
Base-Base interactions energy: -159.916
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.030
local terms energy: -88.340196
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -226.828054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.828054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.828054 (E_RNA)
where:
Base-Base interactions energy: -156.683
where: short stacking energy: -61.079
Base-Backbone interact. energy: -2.231
local terms energy: -67.914160
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -8.371
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -110.194519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.194519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.194519 (E_RNA)
where:
Base-Base interactions energy: -41.068
where: short stacking energy: -38.030
Base-Backbone interact. energy: 2.900
local terms energy: -72.027161
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -202.362723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.362723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.362723 (E_RNA)
where:
Base-Base interactions energy: -129.358
where: short stacking energy: -52.108
Base-Backbone interact. energy: -0.475
local terms energy: -72.529710
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -6.371
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: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -101.729733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.729733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.729733 (E_RNA)
where:
Base-Base interactions energy: -43.583
where: short stacking energy: -26.869
Base-Backbone interact. energy: -0.445
local terms energy: -57.701585
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: 2.305
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: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -88.282016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.282016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.282016 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -23.654
Base-Backbone interact. energy: 1.638
local terms energy: -60.042620
where:
bonds (distance) C4'-P energy: -7.887
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -12.392
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: 182
Temperature: 0.900000
Total energy: -292.268281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.268281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.268281 (E_RNA)
where:
Base-Base interactions energy: -203.862
where: short stacking energy: -80.664
Base-Backbone interact. energy: -0.105
local terms energy: -88.301681
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -21.978
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: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -297.944619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.944619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.944619 (E_RNA)
where:
Base-Base interactions energy: -206.906
where: short stacking energy: -82.720
Base-Backbone interact. energy: -0.093
local terms energy: -90.945714
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -288.771988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.771988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.771988 (E_RNA)
where:
Base-Base interactions energy: -196.317
where: short stacking energy: -77.057
Base-Backbone interact. energy: -0.034
local terms energy: -92.421427
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -227.555486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.555486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.555486 (E_RNA)
where:
Base-Base interactions energy: -142.558
where: short stacking energy: -69.205
Base-Backbone interact. energy: -0.101
local terms energy: -84.896278
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -261.301310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.301310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.301310 (E_RNA)
where:
Base-Base interactions energy: -190.355
where: short stacking energy: -70.951
Base-Backbone interact. energy: -0.099
local terms energy: -70.848056
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -249.573620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.573620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.573620 (E_RNA)
where:
Base-Base interactions energy: -163.805
where: short stacking energy: -70.207
Base-Backbone interact. energy: -0.041
local terms energy: -85.727709
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -213.339560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.339560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.339560 (E_RNA)
where:
Base-Base interactions energy: -143.096
where: short stacking energy: -61.792
Base-Backbone interact. energy: -0.054
local terms energy: -70.189307
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -94.457651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.457651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.457651 (E_RNA)
where:
Base-Base interactions energy: -35.775
where: short stacking energy: -35.775
Base-Backbone interact. energy: 0.817
local terms energy: -59.499477
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -87.709135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.709135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.709135 (E_RNA)
where:
Base-Base interactions energy: -36.724
where: short stacking energy: -34.291
Base-Backbone interact. energy: -0.623
local terms energy: -50.362329
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -0.590
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: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -92.808143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.808143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.808143 (E_RNA)
where:
Base-Base interactions energy: -33.890
where: short stacking energy: -29.417
Base-Backbone interact. energy: -0.362
local terms energy: -58.556873
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -5.943
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: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -293.320625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.320625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.320625 (E_RNA)
where:
Base-Base interactions energy: -199.380
where: short stacking energy: -81.244
Base-Backbone interact. energy: -0.093
local terms energy: -93.848582
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -13.291
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: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -293.462050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.462050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.462050 (E_RNA)
where:
Base-Base interactions energy: -202.252
where: short stacking energy: -86.435
Base-Backbone interact. energy: 0.216
local terms energy: -91.426703
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -22.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -262.888779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.888779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.888779 (E_RNA)
where:
Base-Base interactions energy: -171.210
where: short stacking energy: -75.024
Base-Backbone interact. energy: -0.032
local terms energy: -91.646819
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -24.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -283.079470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.079470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.079470 (E_RNA)
where:
Base-Base interactions energy: -194.169
where: short stacking energy: -84.478
Base-Backbone interact. energy: -0.094
local terms energy: -88.816422
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -227.154593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.154593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.154593 (E_RNA)
where:
Base-Base interactions energy: -138.752
where: short stacking energy: -60.458
Base-Backbone interact. energy: -0.300
local terms energy: -88.103070
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -10.842
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: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -270.492048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.492048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.492048 (E_RNA)
where:
Base-Base interactions energy: -188.303
where: short stacking energy: -78.997
Base-Backbone interact. energy: -0.079
local terms energy: -82.109956
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -23.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -176.659564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.659564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.659564 (E_RNA)
where:
Base-Base interactions energy: -112.889
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.110
local terms energy: -63.660859
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: -14.050
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: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -128.260975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.260975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.260975 (E_RNA)
where:
Base-Base interactions energy: -67.163
where: short stacking energy: -33.960
Base-Backbone interact. energy: -0.154
local terms energy: -60.944393
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -98.018848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.018848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.018848 (E_RNA)
where:
Base-Base interactions energy: -27.867
where: short stacking energy: -19.745
Base-Backbone interact. energy: 0.003
local terms energy: -70.154894
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -3.023
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: 183
Temperature: 1.350000
Total energy: -87.301974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.301974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.301974 (E_RNA)
where:
Base-Base interactions energy: -27.399
where: short stacking energy: -24.557
Base-Backbone interact. energy: 1.045
local terms energy: -60.947848
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: 0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -294.571658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.571658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.571658 (E_RNA)
where:
Base-Base interactions energy: -203.812
where: short stacking energy: -81.305
Base-Backbone interact. energy: -0.016
local terms energy: -90.744306
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -24.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -283.517827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.517827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.517827 (E_RNA)
where:
Base-Base interactions energy: -188.464
where: short stacking energy: -90.514
Base-Backbone interact. energy: -0.003
local terms energy: -95.051267
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -25.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -275.229418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.229418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.229418 (E_RNA)
where:
Base-Base interactions energy: -183.478
where: short stacking energy: -86.016
Base-Backbone interact. energy: -0.021
local terms energy: -91.729742
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -24.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -287.867366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.867366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.867366 (E_RNA)
where:
Base-Base interactions energy: -191.525
where: short stacking energy: -72.922
Base-Backbone interact. energy: -0.010
local terms energy: -96.332742
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -13.533
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: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -258.244363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.244363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.244363 (E_RNA)
where:
Base-Base interactions energy: -176.316
where: short stacking energy: -76.041
Base-Backbone interact. energy: -0.111
local terms energy: -81.817330
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -9.949
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: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -218.737241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.737241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.737241 (E_RNA)
where:
Base-Base interactions energy: -137.201
where: short stacking energy: -60.088
Base-Backbone interact. energy: 1.170
local terms energy: -82.705562
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -176.664473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.664473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.664473 (E_RNA)
where:
Base-Base interactions energy: -102.728
where: short stacking energy: -52.055
Base-Backbone interact. energy: -0.022
local terms energy: -73.914584
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -103.678942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.678942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.678942 (E_RNA)
where:
Base-Base interactions energy: -38.964
where: short stacking energy: -28.529
Base-Backbone interact. energy: -0.261
local terms energy: -64.453757
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -90.914708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.914708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.914708 (E_RNA)
where:
Base-Base interactions energy: -25.526
where: short stacking energy: -21.367
Base-Backbone interact. energy: -0.332
local terms energy: -65.057514
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -103.835097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.835097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.835097 (E_RNA)
where:
Base-Base interactions energy: -38.864
where: short stacking energy: -31.907
Base-Backbone interact. energy: -1.104
local terms energy: -63.867557
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -7.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -297.384361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.384361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.384361 (E_RNA)
where:
Base-Base interactions energy: -197.853
where: short stacking energy: -77.191
Base-Backbone interact. energy: -0.104
local terms energy: -99.427768
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -23.073
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -26.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -285.346506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.346506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.346506 (E_RNA)
where:
Base-Base interactions energy: -198.286
where: short stacking energy: -80.849
Base-Backbone interact. energy: -0.003
local terms energy: -87.057124
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -22.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -274.720544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.720544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.720544 (E_RNA)
where:
Base-Base interactions energy: -187.616
where: short stacking energy: -84.443
Base-Backbone interact. energy: -0.027
local terms energy: -87.077192
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -12.195
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: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -273.516544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.516544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.516544 (E_RNA)
where:
Base-Base interactions energy: -177.239
where: short stacking energy: -85.037
Base-Backbone interact. energy: -0.553
local terms energy: -95.724775
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -24.895
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: 185
Temperature: 1.100000
Total energy: -242.758238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.758238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.758238 (E_RNA)
where:
Base-Base interactions energy: -162.163
where: short stacking energy: -67.555
Base-Backbone interact. energy: -0.943
local terms energy: -79.652003
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -227.764097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.764097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.764097 (E_RNA)
where:
Base-Base interactions energy: -146.869
where: short stacking energy: -75.012
Base-Backbone interact. energy: -0.001
local terms energy: -80.894687
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -20.813
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: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -174.323338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.323338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.323338 (E_RNA)
where:
Base-Base interactions energy: -95.932
where: short stacking energy: -49.122
Base-Backbone interact. energy: -0.127
local terms energy: -78.264628
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -100.469987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.469987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.469987 (E_RNA)
where:
Base-Base interactions energy: -35.186
where: short stacking energy: -32.297
Base-Backbone interact. energy: -0.091
local terms energy: -65.192644
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -6.329
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: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -89.915380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.915380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.915380 (E_RNA)
where:
Base-Base interactions energy: -30.311
where: short stacking energy: -30.311
Base-Backbone interact. energy: 0.323
local terms energy: -59.927682
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -86.115951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115951 (E_RNA)
where:
Base-Base interactions energy: -23.686
where: short stacking energy: -21.659
Base-Backbone interact. energy: 0.268
local terms energy: -62.698032
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -11.264
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: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -296.926843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.926843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.926843 (E_RNA)
where:
Base-Base interactions energy: -210.837
where: short stacking energy: -87.334
Base-Backbone interact. energy: -1.024
local terms energy: -85.065658
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -23.287
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: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -281.706945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.706945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.706945 (E_RNA)
where:
Base-Base interactions energy: -188.506
where: short stacking energy: -82.033
Base-Backbone interact. energy: -0.096
local terms energy: -93.104676
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -19.191
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -14.836
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: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -267.122343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.122343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.122343 (E_RNA)
where:
Base-Base interactions energy: -175.625
where: short stacking energy: -80.877
Base-Backbone interact. energy: -0.113
local terms energy: -91.384206
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -15.492
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: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -273.962267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.962267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.962267 (E_RNA)
where:
Base-Base interactions energy: -182.483
where: short stacking energy: -80.467
Base-Backbone interact. energy: -0.035
local terms energy: -91.444334
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -221.255629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.255629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.255629 (E_RNA)
where:
Base-Base interactions energy: -142.299
where: short stacking energy: -61.422
Base-Backbone interact. energy: -0.473
local terms energy: -78.482999
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -233.474762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.474762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.474762 (E_RNA)
where:
Base-Base interactions energy: -154.401
where: short stacking energy: -66.989
Base-Backbone interact. energy: -0.042
local terms energy: -79.031156
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -178.860336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.860336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.860336 (E_RNA)
where:
Base-Base interactions energy: -101.825
where: short stacking energy: -48.618
Base-Backbone interact. energy: -0.433
local terms energy: -76.602559
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -10.188
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: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -95.121337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.121337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.121337 (E_RNA)
where:
Base-Base interactions energy: -43.132
where: short stacking energy: -42.105
Base-Backbone interact. energy: -0.277
local terms energy: -51.711797
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -88.859599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.859599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.859599 (E_RNA)
where:
Base-Base interactions energy: -33.016
where: short stacking energy: -27.496
Base-Backbone interact. energy: -1.390
local terms energy: -54.453405
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -9.920
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: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -92.858541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.858541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.858541 (E_RNA)
where:
Base-Base interactions energy: -37.704
where: short stacking energy: -34.417
Base-Backbone interact. energy: -0.210
local terms energy: -54.945399
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -292.638860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.638860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.638860 (E_RNA)
where:
Base-Base interactions energy: -199.132
where: short stacking energy: -86.245
Base-Backbone interact. energy: -0.024
local terms energy: -93.482858
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -23.515
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: 187
Temperature: 0.950000
Total energy: -285.563196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.563196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.563196 (E_RNA)
where:
Base-Base interactions energy: -189.111
where: short stacking energy: -84.740
Base-Backbone interact. energy: -1.672
local terms energy: -94.780654
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -26.308
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: 10
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -286.185753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.185753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.185753 (E_RNA)
where:
Base-Base interactions energy: -204.165
where: short stacking energy: -89.199
Base-Backbone interact. energy: 0.611
local terms energy: -82.631080
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -13.447
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: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -277.307764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.307764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.307764 (E_RNA)
where:
Base-Base interactions energy: -178.859
where: short stacking energy: -81.985
Base-Backbone interact. energy: -0.002
local terms energy: -98.446433
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -26.374
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: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -219.880500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.880500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.880500 (E_RNA)
where:
Base-Base interactions energy: -144.209
where: short stacking energy: -59.423
Base-Backbone interact. energy: -0.557
local terms energy: -75.115303
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -236.928896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.928896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.928896 (E_RNA)
where:
Base-Base interactions energy: -154.674
where: short stacking energy: -68.200
Base-Backbone interact. energy: -0.116
local terms energy: -82.138441
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -178.262101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.262101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.262101 (E_RNA)
where:
Base-Base interactions energy: -114.449
where: short stacking energy: -47.772
Base-Backbone interact. energy: 2.230
local terms energy: -66.043764
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -116.242948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.242948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.242948 (E_RNA)
where:
Base-Base interactions energy: -42.870
where: short stacking energy: -37.612
Base-Backbone interact. energy: -0.285
local terms energy: -73.087810
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -13.656
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: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -91.668463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.668463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.668463 (E_RNA)
where:
Base-Base interactions energy: -27.214
where: short stacking energy: -27.214
Base-Backbone interact. energy: -0.194
local terms energy: -64.260088
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -91.759659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.759659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.759659 (E_RNA)
where:
Base-Base interactions energy: -40.557
where: short stacking energy: -28.752
Base-Backbone interact. energy: 0.506
local terms energy: -51.708873
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -11.174
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: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -298.538768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.538768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.538768 (E_RNA)
where:
Base-Base interactions energy: -205.161
where: short stacking energy: -84.219
Base-Backbone interact. energy: -0.656
local terms energy: -92.721160
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -22.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -284.858072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.858072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.858072 (E_RNA)
where:
Base-Base interactions energy: -208.597
where: short stacking energy: -87.281
Base-Backbone interact. energy: 0.141
local terms energy: -76.402436
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -11.033
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: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -280.879079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.879079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.879079 (E_RNA)
where:
Base-Base interactions energy: -191.994
where: short stacking energy: -83.931
Base-Backbone interact. energy: 0.188
local terms energy: -89.073993
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -8.727
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: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -282.607294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.607294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.607294 (E_RNA)
where:
Base-Base interactions energy: -192.446
where: short stacking energy: -79.377
Base-Backbone interact. energy: -0.094
local terms energy: -90.067243
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -23.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -244.548020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.548020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.548020 (E_RNA)
where:
Base-Base interactions energy: -158.484
where: short stacking energy: -69.990
Base-Backbone interact. energy: -1.365
local terms energy: -84.699551
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -215.307325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.307325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.307325 (E_RNA)
where:
Base-Base interactions energy: -137.556
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.154
local terms energy: -77.597368
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -180.797313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.797313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.797313 (E_RNA)
where:
Base-Base interactions energy: -110.952
where: short stacking energy: -48.663
Base-Backbone interact. energy: -0.154
local terms energy: -69.692005
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -103.950409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.950409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.950409 (E_RNA)
where:
Base-Base interactions energy: -41.306
where: short stacking energy: -39.856
Base-Backbone interact. energy: -0.230
local terms energy: -62.415187
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -95.263665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.263665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.263665 (E_RNA)
where:
Base-Base interactions energy: -31.285
where: short stacking energy: -22.607
Base-Backbone interact. energy: 2.345
local terms energy: -66.323353
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -91.820207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.820207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.820207 (E_RNA)
where:
Base-Base interactions energy: -40.084
where: short stacking energy: -33.837
Base-Backbone interact. energy: -0.224
local terms energy: -51.512106
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -1.732
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: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -294.676240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.676240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.676240 (E_RNA)
where:
Base-Base interactions energy: -194.622
where: short stacking energy: -83.906
Base-Backbone interact. energy: -0.433
local terms energy: -99.621185
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -25.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -281.049489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.049489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.049489 (E_RNA)
where:
Base-Base interactions energy: -187.245
where: short stacking energy: -81.972
Base-Backbone interact. energy: -0.633
local terms energy: -93.172090
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -26.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -293.003205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.003205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.003205 (E_RNA)
where:
Base-Base interactions energy: -203.644
where: short stacking energy: -83.348
Base-Backbone interact. energy: -0.079
local terms energy: -89.280289
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -10.050
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: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -256.753974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.753974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.753974 (E_RNA)
where:
Base-Base interactions energy: -176.963
where: short stacking energy: -77.175
Base-Backbone interact. energy: 0.187
local terms energy: -79.978097
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -8.825
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: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -242.441332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.441332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.441332 (E_RNA)
where:
Base-Base interactions energy: -160.696
where: short stacking energy: -60.545
Base-Backbone interact. energy: -0.223
local terms energy: -81.521926
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -213.773927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.773927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.773927 (E_RNA)
where:
Base-Base interactions energy: -137.886
where: short stacking energy: -52.188
Base-Backbone interact. energy: -0.247
local terms energy: -75.641259
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -12.595
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: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -199.870957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.870957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.870957 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -51.806
Base-Backbone interact. energy: -0.143
local terms energy: -72.729104
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -16.495
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: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -99.226853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.226853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.226853 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.134
local terms energy: -66.843207
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -119.655580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.655580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.655580 (E_RNA)
where:
Base-Base interactions energy: -60.265
where: short stacking energy: -39.935
Base-Backbone interact. energy: -0.705
local terms energy: -58.685821
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -85.702739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.702739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.702739 (E_RNA)
where:
Base-Base interactions energy: -21.965
where: short stacking energy: -21.965
Base-Backbone interact. energy: -0.159
local terms energy: -63.578541
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: 2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -300.071466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.071466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.071466 (E_RNA)
where:
Base-Base interactions energy: -202.697
where: short stacking energy: -84.595
Base-Backbone interact. energy: -0.124
local terms energy: -97.250563
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -292.676942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.676942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.676942 (E_RNA)
where:
Base-Base interactions energy: -196.242
where: short stacking energy: -89.535
Base-Backbone interact. energy: -0.161
local terms energy: -96.273909
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -292.454446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.454446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.454446 (E_RNA)
where:
Base-Base interactions energy: -206.277
where: short stacking energy: -79.979
Base-Backbone interact. energy: -0.091
local terms energy: -86.086212
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -24.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -256.746663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.746663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.746663 (E_RNA)
where:
Base-Base interactions energy: -175.843
where: short stacking energy: -72.466
Base-Backbone interact. energy: 1.502
local terms energy: -82.406077
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -260.526429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.526429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.526429 (E_RNA)
where:
Base-Base interactions energy: -172.516
where: short stacking energy: -74.571
Base-Backbone interact. energy: -0.090
local terms energy: -87.919986
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -212.109235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.109235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.109235 (E_RNA)
where:
Base-Base interactions energy: -138.965
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.197
local terms energy: -72.947518
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -8.113
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: 190
Temperature: 1.200000
Total energy: -182.238215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.238215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.238215 (E_RNA)
where:
Base-Base interactions energy: -105.880
where: short stacking energy: -52.030
Base-Backbone interact. energy: -0.278
local terms energy: -76.080154
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -116.820287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.820287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.820287 (E_RNA)
where:
Base-Base interactions energy: -43.550
where: short stacking energy: -40.970
Base-Backbone interact. energy: -0.194
local terms energy: -73.076321
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -99.679981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.679981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.679981 (E_RNA)
where:
Base-Base interactions energy: -40.387
where: short stacking energy: -40.387
Base-Backbone interact. energy: -0.256
local terms energy: -59.036798
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -9.095
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: 2
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -101.024642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.024642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.024642 (E_RNA)
where:
Base-Base interactions energy: -35.736
where: short stacking energy: -29.547
Base-Backbone interact. energy: -0.339
local terms energy: -64.949987
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: 0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -281.907229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.907229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.907229 (E_RNA)
where:
Base-Base interactions energy: -191.437
where: short stacking energy: -80.216
Base-Backbone interact. energy: -0.041
local terms energy: -90.430045
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -291.646694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.646694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.646694 (E_RNA)
where:
Base-Base interactions energy: -195.998
where: short stacking energy: -78.553
Base-Backbone interact. energy: -0.089
local terms energy: -95.559421
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -25.991
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: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -285.630143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.630143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.630143 (E_RNA)
where:
Base-Base interactions energy: -196.541
where: short stacking energy: -84.196
Base-Backbone interact. energy: -0.086
local terms energy: -89.003190
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -281.899387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.899387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.899387 (E_RNA)
where:
Base-Base interactions energy: -190.553
where: short stacking energy: -85.789
Base-Backbone interact. energy: -0.166
local terms energy: -91.180436
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -24.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -255.259962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.259962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.259962 (E_RNA)
where:
Base-Base interactions energy: -170.470
where: short stacking energy: -68.222
Base-Backbone interact. energy: -0.155
local terms energy: -84.635114
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -217.551781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.551781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.551781 (E_RNA)
where:
Base-Base interactions energy: -152.383
where: short stacking energy: -61.655
Base-Backbone interact. energy: -0.112
local terms energy: -65.056913
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -212.785951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.785951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.785951 (E_RNA)
where:
Base-Base interactions energy: -135.390
where: short stacking energy: -53.424
Base-Backbone interact. energy: -0.342
local terms energy: -77.054257
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -112.761728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.761728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.761728 (E_RNA)
where:
Base-Base interactions energy: -53.848
where: short stacking energy: -50.513
Base-Backbone interact. energy: -0.695
local terms energy: -58.218387
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -94.118340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.118340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.118340 (E_RNA)
where:
Base-Base interactions energy: -44.174
where: short stacking energy: -33.081
Base-Backbone interact. energy: -0.260
local terms energy: -49.684652
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: 2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -114.406532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.406532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.406532 (E_RNA)
where:
Base-Base interactions energy: -66.075
where: short stacking energy: -27.018
Base-Backbone interact. energy: -0.203
local terms energy: -48.128559
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -303.318459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.318459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.318459 (E_RNA)
where:
Base-Base interactions energy: -211.150
where: short stacking energy: -83.452
Base-Backbone interact. energy: -0.201
local terms energy: -91.966749
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -294.899111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.899111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.899111 (E_RNA)
where:
Base-Base interactions energy: -192.023
where: short stacking energy: -87.256
Base-Backbone interact. energy: -0.006
local terms energy: -102.869852
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -26.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -286.623592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.623592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.623592 (E_RNA)
where:
Base-Base interactions energy: -199.461
where: short stacking energy: -84.575
Base-Backbone interact. energy: -0.104
local terms energy: -87.058594
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -25.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -278.645815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.645815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.645815 (E_RNA)
where:
Base-Base interactions energy: -195.229
where: short stacking energy: -79.755
Base-Backbone interact. energy: -0.145
local terms energy: -83.271935
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -220.330331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.330331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.330331 (E_RNA)
where:
Base-Base interactions energy: -138.211
where: short stacking energy: -70.824
Base-Backbone interact. energy: -0.009
local terms energy: -82.110036
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -249.110313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.110313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.110313 (E_RNA)
where:
Base-Base interactions energy: -168.018
where: short stacking energy: -60.441
Base-Backbone interact. energy: 0.543
local terms energy: -81.635455
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -210.010369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.010369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.010369 (E_RNA)
where:
Base-Base interactions energy: -136.651
where: short stacking energy: -60.175
Base-Backbone interact. energy: -0.018
local terms energy: -73.341677
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -91.265662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.265662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.265662 (E_RNA)
where:
Base-Base interactions energy: -29.412
where: short stacking energy: -28.582
Base-Backbone interact. energy: -0.287
local terms energy: -61.565886
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -1.556
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -92.144478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.144478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.144478 (E_RNA)
where:
Base-Base interactions energy: -27.148
where: short stacking energy: -24.618
Base-Backbone interact. energy: -0.620
local terms energy: -64.376596
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -10.915
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: 10, replica: 2
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -101.066323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.066323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.066323 (E_RNA)
where:
Base-Base interactions energy: -41.125
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.006
local terms energy: -59.934803
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -296.554998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.554998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.554998 (E_RNA)
where:
Base-Base interactions energy: -200.384
where: short stacking energy: -82.795
Base-Backbone interact. energy: -0.170
local terms energy: -96.001475
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -23.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -282.262569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.262569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.262569 (E_RNA)
where:
Base-Base interactions energy: -188.935
where: short stacking energy: -82.407
Base-Backbone interact. energy: -0.028
local terms energy: -93.300136
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -25.948
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: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -290.807817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.807817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.807817 (E_RNA)
where:
Base-Base interactions energy: -207.684
where: short stacking energy: -90.577
Base-Backbone interact. energy: -0.109
local terms energy: -83.015013
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -25.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -273.061582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.061582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.061582 (E_RNA)
where:
Base-Base interactions energy: -173.537
where: short stacking energy: -81.818
Base-Backbone interact. energy: -0.015
local terms energy: -99.509877
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -26.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -209.503579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.503579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.503579 (E_RNA)
where:
Base-Base interactions energy: -128.485
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.000
local terms energy: -81.018660
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -13.185
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: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -274.465397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.465397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.465397 (E_RNA)
where:
Base-Base interactions energy: -190.698
where: short stacking energy: -77.443
Base-Backbone interact. energy: -0.099
local terms energy: -83.668905
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -24.656
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: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -171.397928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.397928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.397928 (E_RNA)
where:
Base-Base interactions energy: -103.324
where: short stacking energy: -51.199
Base-Backbone interact. energy: -0.005
local terms energy: -68.068747
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -11.073
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: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -104.476033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.476033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.476033 (E_RNA)
where:
Base-Base interactions energy: -46.874
where: short stacking energy: -30.110
Base-Backbone interact. energy: 0.854
local terms energy: -58.455679
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -19.578
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -4.188
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: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -100.584886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.584886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.584886 (E_RNA)
where:
Base-Base interactions energy: -47.033
where: short stacking energy: -29.510
Base-Backbone interact. energy: -0.259
local terms energy: -53.292756
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: 3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -90.022888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.022888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.022888 (E_RNA)
where:
Base-Base interactions energy: -39.088
where: short stacking energy: -31.109
Base-Backbone interact. energy: -0.486
local terms energy: -50.448673
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -294.442025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.442025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.442025 (E_RNA)
where:
Base-Base interactions energy: -188.904
where: short stacking energy: -88.224
Base-Backbone interact. energy: -0.007
local terms energy: -105.531154
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -28.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -287.800608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.800608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.800608 (E_RNA)
where:
Base-Base interactions energy: -195.015
where: short stacking energy: -81.251
Base-Backbone interact. energy: -0.180
local terms energy: -92.605416
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -14.155
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: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -284.388463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.388463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.388463 (E_RNA)
where:
Base-Base interactions energy: -184.436
where: short stacking energy: -76.891
Base-Backbone interact. energy: -0.007
local terms energy: -99.946234
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -276.399343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.399343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.399343 (E_RNA)
where:
Base-Base interactions energy: -188.300
where: short stacking energy: -81.966
Base-Backbone interact. energy: -0.177
local terms energy: -87.921540
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -15.983
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: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -269.595251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.595251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.595251 (E_RNA)
where:
Base-Base interactions energy: -180.620
where: short stacking energy: -80.864
Base-Backbone interact. energy: -0.022
local terms energy: -88.953881
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -208.651101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.651101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.651101 (E_RNA)
where:
Base-Base interactions energy: -137.524
where: short stacking energy: -58.339
Base-Backbone interact. energy: 0.477
local terms energy: -71.604321
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -12.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -201.300396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.300396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.300396 (E_RNA)
where:
Base-Base interactions energy: -126.553
where: short stacking energy: -46.985
Base-Backbone interact. energy: -0.714
local terms energy: -74.034199
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -97.740044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.740044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.740044 (E_RNA)
where:
Base-Base interactions energy: -41.577
where: short stacking energy: -28.935
Base-Backbone interact. energy: -1.264
local terms energy: -54.899004
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: 1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -132.907479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.907479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.907479 (E_RNA)
where:
Base-Base interactions energy: -69.339
where: short stacking energy: -40.526
Base-Backbone interact. energy: -0.458
local terms energy: -63.110362
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -7.873
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: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -93.876355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.876355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.876355 (E_RNA)
where:
Base-Base interactions energy: -27.978
where: short stacking energy: -24.050
Base-Backbone interact. energy: 0.354
local terms energy: -66.252609
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -9.334
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: 195
Temperature: 0.900000
Total energy: -289.501521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.501521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.501521 (E_RNA)
where:
Base-Base interactions energy: -190.946
where: short stacking energy: -88.854
Base-Backbone interact. energy: -0.011
local terms energy: -98.544542
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -30.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -284.731524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.731524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.731524 (E_RNA)
where:
Base-Base interactions energy: -191.111
where: short stacking energy: -80.984
Base-Backbone interact. energy: -0.991
local terms energy: -92.629477
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -13.746
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: 3, replica: 7
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -274.964668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.964668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.964668 (E_RNA)
where:
Base-Base interactions energy: -186.634
where: short stacking energy: -79.296
Base-Backbone interact. energy: -0.003
local terms energy: -88.327255
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -12.382
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: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -263.935909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.935909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.935909 (E_RNA)
where:
Base-Base interactions energy: -187.883
where: short stacking energy: -84.691
Base-Backbone interact. energy: 1.109
local terms energy: -77.162319
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -8.979
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: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -286.433352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.433352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.433352 (E_RNA)
where:
Base-Base interactions energy: -190.940
where: short stacking energy: -84.769
Base-Backbone interact. energy: -0.083
local terms energy: -95.410136
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -210.156289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.156289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.156289 (E_RNA)
where:
Base-Base interactions energy: -131.530
where: short stacking energy: -53.543
Base-Backbone interact. energy: -0.040
local terms energy: -78.585752
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -15.805
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: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -196.831529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.831529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.831529 (E_RNA)
where:
Base-Base interactions energy: -126.521
where: short stacking energy: -56.000
Base-Backbone interact. energy: -0.122
local terms energy: -70.188750
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -139.331216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.331216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.331216 (E_RNA)
where:
Base-Base interactions energy: -79.208
where: short stacking energy: -38.255
Base-Backbone interact. energy: -0.171
local terms energy: -59.952447
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -91.963652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.963652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.963652 (E_RNA)
where:
Base-Base interactions energy: -33.118
where: short stacking energy: -23.594
Base-Backbone interact. energy: -0.433
local terms energy: -58.412408
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -8.591
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: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -95.699707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.699707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.699707 (E_RNA)
where:
Base-Base interactions energy: -36.060
where: short stacking energy: -36.060
Base-Backbone interact. energy: -0.052
local terms energy: -59.588359
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -10.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -300.249870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.249870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.249870 (E_RNA)
where:
Base-Base interactions energy: -197.638
where: short stacking energy: -92.781
Base-Backbone interact. energy: -0.104
local terms energy: -102.507482
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -27.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -285.605752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.605752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.605752 (E_RNA)
where:
Base-Base interactions energy: -191.612
where: short stacking energy: -87.226
Base-Backbone interact. energy: 1.167
local terms energy: -95.161439
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -27.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -282.878199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.878199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.878199 (E_RNA)
where:
Base-Base interactions energy: -184.308
where: short stacking energy: -89.392
Base-Backbone interact. energy: -0.001
local terms energy: -98.568797
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -30.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -273.472842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.472842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.472842 (E_RNA)
where:
Base-Base interactions energy: -190.821
where: short stacking energy: -81.725
Base-Backbone interact. energy: -0.029
local terms energy: -82.622697
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -247.986621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.986621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.986621 (E_RNA)
where:
Base-Base interactions energy: -161.701
where: short stacking energy: -69.748
Base-Backbone interact. energy: -0.139
local terms energy: -86.147008
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -209.203631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.203631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.203631 (E_RNA)
where:
Base-Base interactions energy: -140.209
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.116
local terms energy: -68.878078
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -217.876017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.876017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.876017 (E_RNA)
where:
Base-Base interactions energy: -136.547
where: short stacking energy: -63.593
Base-Backbone interact. energy: -0.002
local terms energy: -81.326797
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -97.616619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.616619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.616619 (E_RNA)
where:
Base-Base interactions energy: -46.286
where: short stacking energy: -24.596
Base-Backbone interact. energy: -0.996
local terms energy: -50.334652
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: 2.113
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: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -95.664801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.664801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.664801 (E_RNA)
where:
Base-Base interactions energy: -29.366
where: short stacking energy: -27.174
Base-Backbone interact. energy: -0.444
local terms energy: -65.854897
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -3.404
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: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -76.220877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.220877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.220877 (E_RNA)
where:
Base-Base interactions energy: -34.895
where: short stacking energy: -32.071
Base-Backbone interact. energy: -0.204
local terms energy: -41.122098
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -6.513
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: 0.770
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: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -303.110711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.110711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.110711 (E_RNA)
where:
Base-Base interactions energy: -204.490
where: short stacking energy: -83.407
Base-Backbone interact. energy: -0.097
local terms energy: -98.523442
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -25.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -277.849827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.849827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.849827 (E_RNA)
where:
Base-Base interactions energy: -186.120
where: short stacking energy: -83.561
Base-Backbone interact. energy: -0.000
local terms energy: -91.729603
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -24.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -284.292186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.292186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.292186 (E_RNA)
where:
Base-Base interactions energy: -202.467
where: short stacking energy: -80.478
Base-Backbone interact. energy: 1.515
local terms energy: -83.340342
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -267.608267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.608267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.608267 (E_RNA)
where:
Base-Base interactions energy: -179.065
where: short stacking energy: -79.884
Base-Backbone interact. energy: -0.071
local terms energy: -88.471952
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -10.035
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: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -271.125552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.125552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.125552 (E_RNA)
where:
Base-Base interactions energy: -184.119
where: short stacking energy: -82.193
Base-Backbone interact. energy: -0.072
local terms energy: -86.934792
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -22.356
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: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -233.385095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.385095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.385095 (E_RNA)
where:
Base-Base interactions energy: -148.690
where: short stacking energy: -68.834
Base-Backbone interact. energy: 0.200
local terms energy: -84.895620
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -210.310258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.310258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.310258 (E_RNA)
where:
Base-Base interactions energy: -129.507
where: short stacking energy: -54.663
Base-Backbone interact. energy: -0.012
local terms energy: -80.791797
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -101.757486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.757486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.757486 (E_RNA)
where:
Base-Base interactions energy: -49.604
where: short stacking energy: -39.257
Base-Backbone interact. energy: 0.132
local terms energy: -52.284891
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -4.723
tors. eta vs tors. theta energy: 0.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -103.292625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.292625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.292625 (E_RNA)
where:
Base-Base interactions energy: -41.548
where: short stacking energy: -31.795
Base-Backbone interact. energy: -0.682
local terms energy: -61.062560
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -4.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -94.829371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.829371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.829371 (E_RNA)
where:
Base-Base interactions energy: -34.166
where: short stacking energy: -29.743
Base-Backbone interact. energy: 0.038
local terms energy: -60.700728
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -289.384517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.384517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.384517 (E_RNA)
where:
Base-Base interactions energy: -195.413
where: short stacking energy: -76.813
Base-Backbone interact. energy: -0.862
local terms energy: -93.109216
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -12.108
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: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -296.599411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.599411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.599411 (E_RNA)
where:
Base-Base interactions energy: -203.548
where: short stacking energy: -83.774
Base-Backbone interact. energy: -0.004
local terms energy: -93.047606
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -26.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -271.513722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.513722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.513722 (E_RNA)
where:
Base-Base interactions energy: -182.493
where: short stacking energy: -77.827
Base-Backbone interact. energy: 0.242
local terms energy: -89.263094
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -16.140
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -14.549
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: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -275.634566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.634566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.634566 (E_RNA)
where:
Base-Base interactions energy: -186.743
where: short stacking energy: -79.486
Base-Backbone interact. energy: 0.520
local terms energy: -89.411286
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -22.743
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: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -266.443458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.443458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.443458 (E_RNA)
where:
Base-Base interactions energy: -176.849
where: short stacking energy: -78.980
Base-Backbone interact. energy: -0.056
local terms energy: -89.538170
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -26.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -222.938703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.938703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.938703 (E_RNA)
where:
Base-Base interactions energy: -145.541
where: short stacking energy: -69.296
Base-Backbone interact. energy: -0.053
local terms energy: -77.345088
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -190.425619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.425619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.425619 (E_RNA)
where:
Base-Base interactions energy: -120.139
where: short stacking energy: -49.781
Base-Backbone interact. energy: 1.052
local terms energy: -71.339268
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -12.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -101.539021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.539021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.539021 (E_RNA)
where:
Base-Base interactions energy: -39.416
where: short stacking energy: -36.723
Base-Backbone interact. energy: 0.622
local terms energy: -62.745188
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -13.721
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: 198
Temperature: 1.300000
Total energy: -108.186386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.186386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.186386 (E_RNA)
where:
Base-Base interactions energy: -44.152
where: short stacking energy: -34.082
Base-Backbone interact. energy: -0.090
local terms energy: -63.944925
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -6.881
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: 10, replica: 2
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -89.435521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.435521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.435521 (E_RNA)
where:
Base-Base interactions energy: -35.081
where: short stacking energy: -29.944
Base-Backbone interact. energy: 1.111
local terms energy: -55.465471
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -1.875
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -291.817653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.817653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.817653 (E_RNA)
where:
Base-Base interactions energy: -196.726
where: short stacking energy: -78.024
Base-Backbone interact. energy: 2.013
local terms energy: -97.104996
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -26.121
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: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -279.222622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.222622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.222622 (E_RNA)
where:
Base-Base interactions energy: -194.671
where: short stacking energy: -79.013
Base-Backbone interact. energy: -0.087
local terms energy: -84.464672
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: -24.299
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: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -283.827423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.827423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.827423 (E_RNA)
where:
Base-Base interactions energy: -190.314
where: short stacking energy: -73.364
Base-Backbone interact. energy: -0.089
local terms energy: -93.424740
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -24.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -272.117851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.117851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.117851 (E_RNA)
where:
Base-Base interactions energy: -184.867
where: short stacking energy: -92.178
Base-Backbone interact. energy: -0.129
local terms energy: -87.122544
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -25.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -278.159843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.159843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.159843 (E_RNA)
where:
Base-Base interactions energy: -190.794
where: short stacking energy: -78.029
Base-Backbone interact. energy: -0.054
local terms energy: -87.311434
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -23.438
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: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -213.713337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.713337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.713337 (E_RNA)
where:
Base-Base interactions energy: -138.014
where: short stacking energy: -53.051
Base-Backbone interact. energy: 2.082
local terms energy: -77.781265
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -11.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -207.155753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.155753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.155753 (E_RNA)
where:
Base-Base interactions energy: -129.587
where: short stacking energy: -60.607
Base-Backbone interact. energy: -0.269
local terms energy: -77.299853
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -8.187
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: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -89.993228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.993228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.993228 (E_RNA)
where:
Base-Base interactions energy: -30.410
where: short stacking energy: -27.857
Base-Backbone interact. energy: 0.429
local terms energy: -60.013010
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -98.941252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.941252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.941252 (E_RNA)
where:
Base-Base interactions energy: -39.334
where: short stacking energy: -25.388
Base-Backbone interact. energy: 0.674
local terms energy: -60.280903
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -12.490
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: 2
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -84.462581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.462581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.462581 (E_RNA)
where:
Base-Base interactions energy: -30.840
where: short stacking energy: -25.966
Base-Backbone interact. energy: -0.710
local terms energy: -52.912364
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -299.865600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.865600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.865600 (E_RNA)
where:
Base-Base interactions energy: -201.542
where: short stacking energy: -94.241
Base-Backbone interact. energy: -0.077
local terms energy: -98.246362
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -26.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -296.829271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.829271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.829271 (E_RNA)
where:
Base-Base interactions energy: -202.699
where: short stacking energy: -80.438
Base-Backbone interact. energy: -0.222
local terms energy: -93.907997
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -27.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -282.746971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.746971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.746971 (E_RNA)
where:
Base-Base interactions energy: -184.564
where: short stacking energy: -83.378
Base-Backbone interact. energy: -0.105
local terms energy: -98.078173
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -14.530
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: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -275.055719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.055719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.055719 (E_RNA)
where:
Base-Base interactions energy: -189.820
where: short stacking energy: -77.190
Base-Backbone interact. energy: -0.086
local terms energy: -85.149506
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -252.353703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.353703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.353703 (E_RNA)
where:
Base-Base interactions energy: -169.293
where: short stacking energy: -72.042
Base-Backbone interact. energy: 0.283
local terms energy: -83.343748
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -24.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -228.533409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.533409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.533409 (E_RNA)
where:
Base-Base interactions energy: -145.958
where: short stacking energy: -67.233
Base-Backbone interact. energy: -0.182
local terms energy: -82.393177
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -23.297
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: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -210.970396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.970396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.970396 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -57.113
Base-Backbone interact. energy: -0.172
local terms energy: -78.414793
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -95.528221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.528221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.528221 (E_RNA)
where:
Base-Base interactions energy: -30.080
where: short stacking energy: -29.287
Base-Backbone interact. energy: -0.204
local terms energy: -65.244369
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -90.751624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.751624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.751624 (E_RNA)
where:
Base-Base interactions energy: -30.956
where: short stacking energy: -26.970
Base-Backbone interact. energy: -0.152
local terms energy: -59.643484
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -7.539
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: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -95.598164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.598164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.598164 (E_RNA)
where:
Base-Base interactions energy: -42.635
where: short stacking energy: -19.648
Base-Backbone interact. energy: -0.436
local terms energy: -52.526907
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -293.227183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.227183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.227183 (E_RNA)
where:
Base-Base interactions energy: -209.471
where: short stacking energy: -85.274
Base-Backbone interact. energy: -0.127
local terms energy: -83.629046
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -276.243516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.243516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.243516 (E_RNA)
where:
Base-Base interactions energy: -189.887
where: short stacking energy: -78.013
Base-Backbone interact. energy: -0.402
local terms energy: -85.954416
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -14.683
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: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -294.332743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.332743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.332743 (E_RNA)
where:
Base-Base interactions energy: -194.766
where: short stacking energy: -85.794
Base-Backbone interact. energy: -0.104
local terms energy: -99.462823
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -14.493
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: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -268.805419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.805419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.805419 (E_RNA)
where:
Base-Base interactions energy: -182.487
where: short stacking energy: -78.324
Base-Backbone interact. energy: 0.121
local terms energy: -86.439207
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -23.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -265.106660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.106660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.106660 (E_RNA)
where:
Base-Base interactions energy: -176.018
where: short stacking energy: -77.302
Base-Backbone interact. energy: -0.033
local terms energy: -89.055546
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -219.501762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.501762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.501762 (E_RNA)
where:
Base-Base interactions energy: -144.547
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.191
local terms energy: -74.764608
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -209.254012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.254012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.254012 (E_RNA)
where:
Base-Base interactions energy: -133.286
where: short stacking energy: -57.055
Base-Backbone interact. energy: -0.406
local terms energy: -75.561909
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -18.237
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: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -97.214053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.214053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.214053 (E_RNA)
where:
Base-Base interactions energy: -35.909
where: short stacking energy: -34.831
Base-Backbone interact. energy: -0.093
local terms energy: -61.212518
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -97.479839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.479839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.479839 (E_RNA)
where:
Base-Base interactions energy: -35.224
where: short stacking energy: -32.777
Base-Backbone interact. energy: -0.628
local terms energy: -61.627736
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -90.124998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.124998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.124998 (E_RNA)
where:
Base-Base interactions energy: -35.169
where: short stacking energy: -29.908
Base-Backbone interact. energy: 0.032
local terms energy: -54.987276
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -6.376
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: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -283.217682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.217682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.217682 (E_RNA)
where:
Base-Base interactions energy: -202.483
where: short stacking energy: -85.893
Base-Backbone interact. energy: -0.006
local terms energy: -80.729001
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -26.318
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: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -289.434775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.434775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.434775 (E_RNA)
where:
Base-Base interactions energy: -197.783
where: short stacking energy: -83.203
Base-Backbone interact. energy: 0.615
local terms energy: -92.267015
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -24.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -281.702738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.702738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.702738 (E_RNA)
where:
Base-Base interactions energy: -184.579
where: short stacking energy: -80.493
Base-Backbone interact. energy: -0.077
local terms energy: -97.046234
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -23.830
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: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -268.707575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.707575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.707575 (E_RNA)
where:
Base-Base interactions energy: -186.579
where: short stacking energy: -85.282
Base-Backbone interact. energy: 0.306
local terms energy: -82.433879
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -10.252
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -270.709639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.709639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.709639 (E_RNA)
where:
Base-Base interactions energy: -184.404
where: short stacking energy: -78.065
Base-Backbone interact. energy: -0.043
local terms energy: -86.262593
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -23.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -212.152046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.152046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.152046 (E_RNA)
where:
Base-Base interactions energy: -139.222
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.053
local terms energy: -72.876914
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -13.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -206.190689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.190689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.190689 (E_RNA)
where:
Base-Base interactions energy: -130.361
where: short stacking energy: -70.532
Base-Backbone interact. energy: -1.029
local terms energy: -74.800167
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -108.923479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.923479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.923479 (E_RNA)
where:
Base-Base interactions energy: -46.707
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.334
local terms energy: -61.882955
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -93.122593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.122593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.122593 (E_RNA)
where:
Base-Base interactions energy: -33.649
where: short stacking energy: -24.462
Base-Backbone interact. energy: -0.327
local terms energy: -59.147272
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: 1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -93.381996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.381996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.381996 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -33.783
Base-Backbone interact. energy: -0.098
local terms energy: -59.501503
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -4.741
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -302.257086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.257086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.257086 (E_RNA)
where:
Base-Base interactions energy: -208.259
where: short stacking energy: -81.129
Base-Backbone interact. energy: 0.292
local terms energy: -94.290690
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -287.015878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.015878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.015878 (E_RNA)
where:
Base-Base interactions energy: -192.537
where: short stacking energy: -80.639
Base-Backbone interact. energy: -0.333
local terms energy: -94.146229
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -25.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -282.185609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.185609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.185609 (E_RNA)
where:
Base-Base interactions energy: -193.528
where: short stacking energy: -81.976
Base-Backbone interact. energy: -0.219
local terms energy: -88.438128
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -26.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -273.441564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.441564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.441564 (E_RNA)
where:
Base-Base interactions energy: -185.977
where: short stacking energy: -80.472
Base-Backbone interact. energy: -0.418
local terms energy: -87.046313
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -13.757
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: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -283.873718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.873718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.873718 (E_RNA)
where:
Base-Base interactions energy: -193.154
where: short stacking energy: -80.786
Base-Backbone interact. energy: -0.014
local terms energy: -90.705724
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -22.802
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: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -207.341043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.341043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.341043 (E_RNA)
where:
Base-Base interactions energy: -138.365
where: short stacking energy: -63.559
Base-Backbone interact. energy: -0.354
local terms energy: -68.621950
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -17.193
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: 203
Temperature: 1.200000
Total energy: -216.052314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.052314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.052314 (E_RNA)
where:
Base-Base interactions energy: -141.982
where: short stacking energy: -69.179
Base-Backbone interact. energy: -0.008
local terms energy: -74.062174
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -93.663440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.663440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.663440 (E_RNA)
where:
Base-Base interactions energy: -35.043
where: short stacking energy: -31.244
Base-Backbone interact. energy: -0.118
local terms energy: -58.503133
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -99.323139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.323139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.323139 (E_RNA)
where:
Base-Base interactions energy: -39.022
where: short stacking energy: -34.499
Base-Backbone interact. energy: -0.328
local terms energy: -59.973156
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -95.941555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.941555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.941555 (E_RNA)
where:
Base-Base interactions energy: -27.200
where: short stacking energy: -16.477
Base-Backbone interact. energy: -0.018
local terms energy: -68.724103
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -297.102681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.102681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.102681 (E_RNA)
where:
Base-Base interactions energy: -198.089
where: short stacking energy: -78.479
Base-Backbone interact. energy: -0.043
local terms energy: -98.970638
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -290.480002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.480002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.480002 (E_RNA)
where:
Base-Base interactions energy: -196.153
where: short stacking energy: -78.117
Base-Backbone interact. energy: -0.186
local terms energy: -94.140506
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -26.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -281.840864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.840864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.840864 (E_RNA)
where:
Base-Base interactions energy: -198.185
where: short stacking energy: -83.516
Base-Backbone interact. energy: -0.381
local terms energy: -83.274441
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -9.448
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: 4, replica: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -279.205816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.205816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.205816 (E_RNA)
where:
Base-Base interactions energy: -187.564
where: short stacking energy: -86.475
Base-Backbone interact. energy: -0.005
local terms energy: -91.637691
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -223.378032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.378032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.378032 (E_RNA)
where:
Base-Base interactions energy: -148.043
where: short stacking energy: -67.732
Base-Backbone interact. energy: 0.698
local terms energy: -76.032359
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -16.041
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: 204
Temperature: 1.150000
Total energy: -252.230870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.230870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.230870 (E_RNA)
where:
Base-Base interactions energy: -172.292
where: short stacking energy: -75.040
Base-Backbone interact. energy: -0.186
local terms energy: -79.752996
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -201.002867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.002867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.002867 (E_RNA)
where:
Base-Base interactions energy: -134.159
where: short stacking energy: -61.876
Base-Backbone interact. energy: 0.564
local terms energy: -67.408125
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -17.342
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: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -94.847445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.847445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.847445 (E_RNA)
where:
Base-Base interactions energy: -29.497
where: short stacking energy: -29.497
Base-Backbone interact. energy: -0.085
local terms energy: -65.264707
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -100.314501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.314501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.314501 (E_RNA)
where:
Base-Base interactions energy: -45.436
where: short stacking energy: -28.593
Base-Backbone interact. energy: -0.190
local terms energy: -54.688638
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -1.077
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: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -95.940438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.940438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.940438 (E_RNA)
where:
Base-Base interactions energy: -33.239
where: short stacking energy: -30.207
Base-Backbone interact. energy: -0.117
local terms energy: -62.584795
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -297.717903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.717903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.717903 (E_RNA)
where:
Base-Base interactions energy: -208.092
where: short stacking energy: -92.826
Base-Backbone interact. energy: -0.020
local terms energy: -89.605955
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -13.682
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: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -286.505097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.505097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.505097 (E_RNA)
where:
Base-Base interactions energy: -189.525
where: short stacking energy: -80.713
Base-Backbone interact. energy: -0.072
local terms energy: -96.907829
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -24.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -287.753787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.753787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.753787 (E_RNA)
where:
Base-Base interactions energy: -202.238
where: short stacking energy: -77.673
Base-Backbone interact. energy: -0.118
local terms energy: -85.397827
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -12.942
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: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -276.841298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.841298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.841298 (E_RNA)
where:
Base-Base interactions energy: -186.431
where: short stacking energy: -80.042
Base-Backbone interact. energy: -0.027
local terms energy: -90.383132
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -15.500
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: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -219.124297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.124297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.124297 (E_RNA)
where:
Base-Base interactions energy: -145.264
where: short stacking energy: -60.840
Base-Backbone interact. energy: -0.039
local terms energy: -73.821182
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -7.024
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: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -216.629448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.629448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.629448 (E_RNA)
where:
Base-Base interactions energy: -131.973
where: short stacking energy: -58.553
Base-Backbone interact. energy: 0.378
local terms energy: -85.034238
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -236.373333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.373333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.373333 (E_RNA)
where:
Base-Base interactions energy: -158.542
where: short stacking energy: -69.284
Base-Backbone interact. energy: -0.316
local terms energy: -77.515178
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -102.174206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.174206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.174206 (E_RNA)
where:
Base-Base interactions energy: -53.144
where: short stacking energy: -29.668
Base-Backbone interact. energy: -0.022
local terms energy: -49.007621
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -3.498
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -127.280114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.280114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.280114 (E_RNA)
where:
Base-Base interactions energy: -69.152
where: short stacking energy: -31.293
Base-Backbone interact. energy: -0.153
local terms energy: -57.975134
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -87.489809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.489809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.489809 (E_RNA)
where:
Base-Base interactions energy: -25.898
where: short stacking energy: -26.098
Base-Backbone interact. energy: 1.312
local terms energy: -62.903381
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -2.108
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: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -291.942941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.942941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.942941 (E_RNA)
where:
Base-Base interactions energy: -195.480
where: short stacking energy: -90.822
Base-Backbone interact. energy: -2.272
local terms energy: -94.190498
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -28.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -279.363747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.363747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.363747 (E_RNA)
where:
Base-Base interactions energy: -194.469
where: short stacking energy: -81.177
Base-Backbone interact. energy: -0.038
local terms energy: -84.856835
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -275.283514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.283514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.283514 (E_RNA)
where:
Base-Base interactions energy: -186.759
where: short stacking energy: -79.656
Base-Backbone interact. energy: -0.109
local terms energy: -88.415340
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -10.952
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: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -273.196889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.196889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.196889 (E_RNA)
where:
Base-Base interactions energy: -178.194
where: short stacking energy: -80.380
Base-Backbone interact. energy: -0.087
local terms energy: -94.916502
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -25.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -224.606416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.606416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.606416 (E_RNA)
where:
Base-Base interactions energy: -142.919
where: short stacking energy: -62.961
Base-Backbone interact. energy: -0.154
local terms energy: -81.532932
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -15.876
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -219.686652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.686652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.686652 (E_RNA)
where:
Base-Base interactions energy: -145.760
where: short stacking energy: -66.128
Base-Backbone interact. energy: 1.261
local terms energy: -75.187578
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -14.454
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: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -235.809354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.809354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.809354 (E_RNA)
where:
Base-Base interactions energy: -150.691
where: short stacking energy: -63.387
Base-Backbone interact. energy: -0.429
local terms energy: -84.689215
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -119.283256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.283256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.283256 (E_RNA)
where:
Base-Base interactions energy: -46.829
where: short stacking energy: -37.302
Base-Backbone interact. energy: -0.359
local terms energy: -72.095087
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -101.933655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.933655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.933655 (E_RNA)
where:
Base-Base interactions energy: -39.492
where: short stacking energy: -37.478
Base-Backbone interact. energy: -0.429
local terms energy: -62.012330
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -100.382618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.382618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.382618 (E_RNA)
where:
Base-Base interactions energy: -49.663
where: short stacking energy: -24.198
Base-Backbone interact. energy: 1.714
local terms energy: -52.433990
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -0.899
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: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -290.067483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.067483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.067483 (E_RNA)
where:
Base-Base interactions energy: -204.575
where: short stacking energy: -83.761
Base-Backbone interact. energy: 1.429
local terms energy: -86.921325
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -24.280
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: 207
Temperature: 0.950000
Total energy: -293.467019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.467019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.467019 (E_RNA)
where:
Base-Base interactions energy: -204.690
where: short stacking energy: -92.474
Base-Backbone interact. energy: -0.127
local terms energy: -88.649694
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -26.831
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: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -281.996725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.996725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.996725 (E_RNA)
where:
Base-Base interactions energy: -192.656
where: short stacking energy: -93.264
Base-Backbone interact. energy: -0.004
local terms energy: -89.336366
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -27.349
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: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -273.926127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.926127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.926127 (E_RNA)
where:
Base-Base interactions energy: -185.650
where: short stacking energy: -84.108
Base-Backbone interact. energy: -2.173
local terms energy: -86.102867
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -244.572307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.572307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.572307 (E_RNA)
where:
Base-Base interactions energy: -158.774
where: short stacking energy: -71.590
Base-Backbone interact. energy: -0.815
local terms energy: -84.982699
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -239.259941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.259941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.259941 (E_RNA)
where:
Base-Base interactions energy: -156.721
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.216
local terms energy: -82.322513
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -206.877655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.877655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.877655 (E_RNA)
where:
Base-Base interactions energy: -134.087
where: short stacking energy: -63.041
Base-Backbone interact. energy: -0.085
local terms energy: -72.705052
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -4.589
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: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -148.545197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.545197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.545197 (E_RNA)
where:
Base-Base interactions energy: -96.913
where: short stacking energy: -47.047
Base-Backbone interact. energy: -0.608
local terms energy: -51.023454
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -113.414495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.414495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.414495 (E_RNA)
where:
Base-Base interactions energy: -58.014
where: short stacking energy: -31.182
Base-Backbone interact. energy: -0.213
local terms energy: -55.186932
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -2.649
tors. eta vs tors. theta energy: -3.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -86.453407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.453407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.453407 (E_RNA)
where:
Base-Base interactions energy: -33.622
where: short stacking energy: -28.000
Base-Backbone interact. energy: -0.457
local terms energy: -52.374148
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -4.347
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: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -300.462104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.462104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.462104 (E_RNA)
where:
Base-Base interactions energy: -201.796
where: short stacking energy: -79.215
Base-Backbone interact. energy: -0.082
local terms energy: -98.583765
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -26.647
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: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -283.649834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.649834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.649834 (E_RNA)
where:
Base-Base interactions energy: -187.206
where: short stacking energy: -86.086
Base-Backbone interact. energy: -0.107
local terms energy: -96.337049
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -24.089
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: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -288.214984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.214984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.214984 (E_RNA)
where:
Base-Base interactions energy: -193.315
where: short stacking energy: -83.853
Base-Backbone interact. energy: -1.085
local terms energy: -93.814146
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -11.295
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: 4, replica: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -267.792651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.792651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.792651 (E_RNA)
where:
Base-Base interactions energy: -177.297
where: short stacking energy: -81.089
Base-Backbone interact. energy: -0.144
local terms energy: -90.352086
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -243.560848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.560848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.560848 (E_RNA)
where:
Base-Base interactions energy: -158.542
where: short stacking energy: -70.596
Base-Backbone interact. energy: -0.090
local terms energy: -84.928473
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -23.893
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: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -221.269612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.269612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.269612 (E_RNA)
where:
Base-Base interactions energy: -148.895
where: short stacking energy: -66.356
Base-Backbone interact. energy: 1.309
local terms energy: -73.683759
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -209.196166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.196166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.196166 (E_RNA)
where:
Base-Base interactions energy: -131.780
where: short stacking energy: -59.377
Base-Backbone interact. energy: -0.331
local terms energy: -77.085310
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -191.678163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.678163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.678163 (E_RNA)
where:
Base-Base interactions energy: -115.360
where: short stacking energy: -58.343
Base-Backbone interact. energy: -0.066
local terms energy: -76.252425
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -104.065294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.065294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.065294 (E_RNA)
where:
Base-Base interactions energy: -39.171
where: short stacking energy: -31.236
Base-Backbone interact. energy: -0.857
local terms energy: -64.036742
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -93.413218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.413218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.413218 (E_RNA)
where:
Base-Base interactions energy: -37.261
where: short stacking energy: -23.921
Base-Backbone interact. energy: -0.248
local terms energy: -55.904452
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -0.159
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: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -296.552661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.552661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.552661 (E_RNA)
where:
Base-Base interactions energy: -200.381
where: short stacking energy: -85.189
Base-Backbone interact. energy: -0.351
local terms energy: -95.820260
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -14.032
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: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -283.491936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.491936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.491936 (E_RNA)
where:
Base-Base interactions energy: -194.762
where: short stacking energy: -87.996
Base-Backbone interact. energy: -0.089
local terms energy: -88.640977
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -282.118804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.118804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.118804 (E_RNA)
where:
Base-Base interactions energy: -190.679
where: short stacking energy: -83.806
Base-Backbone interact. energy: -0.005
local terms energy: -91.433910
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -29.702
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: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -294.859242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.859242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.859242 (E_RNA)
where:
Base-Base interactions energy: -205.250
where: short stacking energy: -87.132
Base-Backbone interact. energy: -0.107
local terms energy: -89.502764
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -23.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -240.866194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.866194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.866194 (E_RNA)
where:
Base-Base interactions energy: -177.265
where: short stacking energy: -71.324
Base-Backbone interact. energy: -1.135
local terms energy: -62.466569
where:
bonds (distance) C4'-P energy: -7.021
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -20.960
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: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -219.512348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.512348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.512348 (E_RNA)
where:
Base-Base interactions energy: -135.982
where: short stacking energy: -62.653
Base-Backbone interact. energy: -0.576
local terms energy: -82.954646
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -9.645
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: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -220.615251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.615251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.615251 (E_RNA)
where:
Base-Base interactions energy: -149.803
where: short stacking energy: -65.407
Base-Backbone interact. energy: 1.091
local terms energy: -71.902665
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -218.222804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.222804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.222804 (E_RNA)
where:
Base-Base interactions energy: -151.090
where: short stacking energy: -70.699
Base-Backbone interact. energy: 0.800
local terms energy: -67.932758
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -98.296298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.296298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.296298 (E_RNA)
where:
Base-Base interactions energy: -29.388
where: short stacking energy: -25.930
Base-Backbone interact. energy: -0.386
local terms energy: -68.523155
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -93.212852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.212852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.212852 (E_RNA)
where:
Base-Base interactions energy: -36.926
where: short stacking energy: -19.232
Base-Backbone interact. energy: -0.963
local terms energy: -55.323168
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -1.153
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: 1, replica: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -303.839850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.839850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.839850 (E_RNA)
where:
Base-Base interactions energy: -203.225
where: short stacking energy: -85.045
Base-Backbone interact. energy: -0.051
local terms energy: -100.563357
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -27.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -298.988390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.988390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.988390 (E_RNA)
where:
Base-Base interactions energy: -202.389
where: short stacking energy: -89.731
Base-Backbone interact. energy: -0.088
local terms energy: -96.510466
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -25.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -286.197341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.197341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.197341 (E_RNA)
where:
Base-Base interactions energy: -188.624
where: short stacking energy: -86.255
Base-Backbone interact. energy: -0.067
local terms energy: -97.506917
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -27.089
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: 210
Temperature: 1.050000
Total energy: -277.753810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.753810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.753810 (E_RNA)
where:
Base-Base interactions energy: -187.593
where: short stacking energy: -80.892
Base-Backbone interact. energy: -0.008
local terms energy: -90.153181
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -26.804
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: 210
Temperature: 1.100000
Total energy: -219.527233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.527233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.527233 (E_RNA)
where:
Base-Base interactions energy: -135.899
where: short stacking energy: -60.560
Base-Backbone interact. energy: -0.073
local terms energy: -83.555518
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -236.424509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.424509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.424509 (E_RNA)
where:
Base-Base interactions energy: -154.142
where: short stacking energy: -67.732
Base-Backbone interact. energy: -0.043
local terms energy: -82.240168
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -14.006
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: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -227.496433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.496433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.496433 (E_RNA)
where:
Base-Base interactions energy: -145.486
where: short stacking energy: -65.324
Base-Backbone interact. energy: -0.109
local terms energy: -81.901216
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -208.841273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.841273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.841273 (E_RNA)
where:
Base-Base interactions energy: -137.262
where: short stacking energy: -63.987
Base-Backbone interact. energy: 0.741
local terms energy: -72.320739
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -18.959
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: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -86.677347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.677347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.677347 (E_RNA)
where:
Base-Base interactions energy: -25.822
where: short stacking energy: -25.822
Base-Backbone interact. energy: 1.221
local terms energy: -62.076320
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -79.039264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.039264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.039264 (E_RNA)
where:
Base-Base interactions energy: -19.213
where: short stacking energy: -19.213
Base-Backbone interact. energy: -0.235
local terms energy: -59.590924
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: 4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -299.326794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.326794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.326794 (E_RNA)
where:
Base-Base interactions energy: -206.684
where: short stacking energy: -83.249
Base-Backbone interact. energy: -0.146
local terms energy: -92.496816
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -26.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -287.700106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.700106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.700106 (E_RNA)
where:
Base-Base interactions energy: -195.879
where: short stacking energy: -87.021
Base-Backbone interact. energy: -0.043
local terms energy: -91.778577
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -25.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -300.956019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.956019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.956019 (E_RNA)
where:
Base-Base interactions energy: -203.302
where: short stacking energy: -82.392
Base-Backbone interact. energy: -0.103
local terms energy: -97.551471
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -14.937
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: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -258.658454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.658454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.658454 (E_RNA)
where:
Base-Base interactions energy: -171.314
where: short stacking energy: -73.398
Base-Backbone interact. energy: -0.928
local terms energy: -86.416764
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -12.648
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: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -235.028645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.028645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.028645 (E_RNA)
where:
Base-Base interactions energy: -149.939
where: short stacking energy: -70.494
Base-Backbone interact. energy: -1.011
local terms energy: -84.078130
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -257.885175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.885175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.885175 (E_RNA)
where:
Base-Base interactions energy: -175.764
where: short stacking energy: -72.896
Base-Backbone interact. energy: -0.160
local terms energy: -81.960577
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -258.728137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.728137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.728137 (E_RNA)
where:
Base-Base interactions energy: -177.273
where: short stacking energy: -69.770
Base-Backbone interact. energy: -0.046
local terms energy: -81.409232
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -21.425
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: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -198.306406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.306406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.306406 (E_RNA)
where:
Base-Base interactions energy: -129.397
where: short stacking energy: -55.252
Base-Backbone interact. energy: -0.094
local terms energy: -68.815378
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -14.399
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: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -97.325965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.325965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.325965 (E_RNA)
where:
Base-Base interactions energy: -46.706
where: short stacking energy: -20.738
Base-Backbone interact. energy: 0.024
local terms energy: -50.643969
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -7.887
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: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -89.026457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.026457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.026457 (E_RNA)
where:
Base-Base interactions energy: -31.820
where: short stacking energy: -23.137
Base-Backbone interact. energy: -0.379
local terms energy: -56.827650
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -302.904437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.904437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.904437 (E_RNA)
where:
Base-Base interactions energy: -202.062
where: short stacking energy: -84.597
Base-Backbone interact. energy: -0.098
local terms energy: -100.745023
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -284.360023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.360023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.360023 (E_RNA)
where:
Base-Base interactions energy: -200.245
where: short stacking energy: -80.325
Base-Backbone interact. energy: -0.137
local terms energy: -83.977894
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -24.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -279.319875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.319875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.319875 (E_RNA)
where:
Base-Base interactions energy: -184.508
where: short stacking energy: -78.132
Base-Backbone interact. energy: -0.042
local terms energy: -94.769825
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -11.107
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: 4, replica: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -256.032987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.032987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.032987 (E_RNA)
where:
Base-Base interactions energy: -173.887
where: short stacking energy: -79.946
Base-Backbone interact. energy: -0.060
local terms energy: -82.085661
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -18.113
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: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -280.298253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.298253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.298253 (E_RNA)
where:
Base-Base interactions energy: -194.766
where: short stacking energy: -71.690
Base-Backbone interact. energy: -0.050
local terms energy: -85.482634
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -212.017530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.017530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.017530 (E_RNA)
where:
Base-Base interactions energy: -129.082
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.116
local terms energy: -82.819954
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -19.891
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: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -234.981284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.981284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.981284 (E_RNA)
where:
Base-Base interactions energy: -162.521
where: short stacking energy: -65.747
Base-Backbone interact. energy: -0.099
local terms energy: -72.361378
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -191.452642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.452642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.452642 (E_RNA)
where:
Base-Base interactions energy: -120.115
where: short stacking energy: -51.625
Base-Backbone interact. energy: 1.496
local terms energy: -72.834417
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -16.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -88.988826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.988826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.988826 (E_RNA)
where:
Base-Base interactions energy: -46.913
where: short stacking energy: -32.830
Base-Backbone interact. energy: 0.042
local terms energy: -42.117751
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -8.822
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: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -87.054451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.054451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.054451 (E_RNA)
where:
Base-Base interactions energy: -23.204
where: short stacking energy: -22.928
Base-Backbone interact. energy: 1.215
local terms energy: -65.065053
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -11.671
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: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -293.580066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.580066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.580066 (E_RNA)
where:
Base-Base interactions energy: -200.286
where: short stacking energy: -87.510
Base-Backbone interact. energy: -0.070
local terms energy: -93.224436
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -12.651
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: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -298.720794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.720794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.720794 (E_RNA)
where:
Base-Base interactions energy: -210.707
where: short stacking energy: -85.585
Base-Backbone interact. energy: -0.096
local terms energy: -87.917790
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -27.321
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: 213
Temperature: 1.000000
Total energy: -281.328318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.328318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.328318 (E_RNA)
where:
Base-Base interactions energy: -186.574
where: short stacking energy: -83.329
Base-Backbone interact. energy: -0.148
local terms energy: -94.606678
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -25.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -274.201826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.201826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.201826 (E_RNA)
where:
Base-Base interactions energy: -191.597
where: short stacking energy: -77.688
Base-Backbone interact. energy: 0.892
local terms energy: -83.496649
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -22.181
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: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -241.768490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.768490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.768490 (E_RNA)
where:
Base-Base interactions energy: -150.396
where: short stacking energy: -70.787
Base-Backbone interact. energy: -0.017
local terms energy: -91.356298
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -24.193
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: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -240.608893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.608893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.608893 (E_RNA)
where:
Base-Base interactions energy: -160.937
where: short stacking energy: -68.838
Base-Backbone interact. energy: -0.287
local terms energy: -79.385017
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -12.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -204.925754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.925754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.925754 (E_RNA)
where:
Base-Base interactions energy: -141.787
where: short stacking energy: -60.924
Base-Backbone interact. energy: -0.126
local terms energy: -63.012763
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -11.213
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: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -206.702684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.702684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.702684 (E_RNA)
where:
Base-Base interactions energy: -129.929
where: short stacking energy: -65.687
Base-Backbone interact. energy: -1.144
local terms energy: -75.629158
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -3.935
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: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -93.237155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.237155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.237155 (E_RNA)
where:
Base-Base interactions energy: -33.938
where: short stacking energy: -21.850
Base-Backbone interact. energy: -0.200
local terms energy: -59.099730
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -9.711
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: 10, replica: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -85.919023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.919023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.919023 (E_RNA)
where:
Base-Base interactions energy: -30.257
where: short stacking energy: -30.005
Base-Backbone interact. energy: -0.229
local terms energy: -55.432455
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -3.674
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -296.609297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.609297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.609297 (E_RNA)
where:
Base-Base interactions energy: -203.148
where: short stacking energy: -83.254
Base-Backbone interact. energy: -0.369
local terms energy: -93.093014
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -14.512
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: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -291.336515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.336515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.336515 (E_RNA)
where:
Base-Base interactions energy: -191.836
where: short stacking energy: -78.531
Base-Backbone interact. energy: -0.180
local terms energy: -99.320257
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -12.998
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: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -281.310949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.310949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.310949 (E_RNA)
where:
Base-Base interactions energy: -181.184
where: short stacking energy: -89.865
Base-Backbone interact. energy: -0.090
local terms energy: -100.036080
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -29.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -271.459027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.459027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.459027 (E_RNA)
where:
Base-Base interactions energy: -174.959
where: short stacking energy: -77.873
Base-Backbone interact. energy: -0.297
local terms energy: -96.202527
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -14.035
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: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -245.435178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.435178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.435178 (E_RNA)
where:
Base-Base interactions energy: -174.488
where: short stacking energy: -71.117
Base-Backbone interact. energy: -0.221
local terms energy: -70.725852
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -234.060319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.060319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.060319 (E_RNA)
where:
Base-Base interactions energy: -153.546
where: short stacking energy: -61.263
Base-Backbone interact. energy: -0.487
local terms energy: -80.027807
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -20.656
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: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -217.760520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.760520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.760520 (E_RNA)
where:
Base-Base interactions energy: -136.053
where: short stacking energy: -63.551
Base-Backbone interact. energy: 0.323
local terms energy: -82.030935
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -177.946544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.946544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.946544 (E_RNA)
where:
Base-Base interactions energy: -113.667
where: short stacking energy: -42.113
Base-Backbone interact. energy: 0.376
local terms energy: -64.654850
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -92.105435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.105435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.105435 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -28.309
Base-Backbone interact. energy: -0.141
local terms energy: -60.815320
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -87.341350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.341350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.341350 (E_RNA)
where:
Base-Base interactions energy: -19.828
where: short stacking energy: -18.429
Base-Backbone interact. energy: -0.715
local terms energy: -66.798592
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -5.279
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: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -287.316137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.316137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.316137 (E_RNA)
where:
Base-Base interactions energy: -187.302
where: short stacking energy: -92.383
Base-Backbone interact. energy: -0.080
local terms energy: -99.934408
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -27.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -286.485577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.485577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.485577 (E_RNA)
where:
Base-Base interactions energy: -185.691
where: short stacking energy: -89.835
Base-Backbone interact. energy: 0.481
local terms energy: -101.274843
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -27.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -278.550981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.550981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.550981 (E_RNA)
where:
Base-Base interactions energy: -190.384
where: short stacking energy: -84.463
Base-Backbone interact. energy: -0.088
local terms energy: -88.078796
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -12.368
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: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -274.124309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.124309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.124309 (E_RNA)
where:
Base-Base interactions energy: -196.577
where: short stacking energy: -78.713
Base-Backbone interact. energy: 1.423
local terms energy: -78.969771
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -3.466
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -268.403786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.403786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.403786 (E_RNA)
where:
Base-Base interactions energy: -184.178
where: short stacking energy: -77.755
Base-Backbone interact. energy: -0.844
local terms energy: -83.381967
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -241.167695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.167695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.167695 (E_RNA)
where:
Base-Base interactions energy: -163.393
where: short stacking energy: -68.483
Base-Backbone interact. energy: -0.291
local terms energy: -77.483741
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -214.659579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.659579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.659579 (E_RNA)
where:
Base-Base interactions energy: -134.514
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.746
local terms energy: -79.399379
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -186.944877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.944877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.944877 (E_RNA)
where:
Base-Base interactions energy: -117.761
where: short stacking energy: -46.651
Base-Backbone interact. energy: -0.154
local terms energy: -69.029520
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -90.806336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.806336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.806336 (E_RNA)
where:
Base-Base interactions energy: -37.133
where: short stacking energy: -29.495
Base-Backbone interact. energy: 0.430
local terms energy: -54.103167
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -99.357818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.357818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.357818 (E_RNA)
where:
Base-Base interactions energy: -45.678
where: short stacking energy: -25.488
Base-Backbone interact. energy: 0.043
local terms energy: -53.723442
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: 0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -279.012928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.012928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.012928 (E_RNA)
where:
Base-Base interactions energy: -179.859
where: short stacking energy: -83.437
Base-Backbone interact. energy: -0.135
local terms energy: -99.019313
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -24.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -285.459613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.459613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.459613 (E_RNA)
where:
Base-Base interactions energy: -188.037
where: short stacking energy: -88.977
Base-Backbone interact. energy: -0.124
local terms energy: -97.298483
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -27.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -280.134032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.134032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.134032 (E_RNA)
where:
Base-Base interactions energy: -191.958
where: short stacking energy: -89.251
Base-Backbone interact. energy: -0.058
local terms energy: -88.118645
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -26.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -269.935243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.935243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.935243 (E_RNA)
where:
Base-Base interactions energy: -180.262
where: short stacking energy: -78.484
Base-Backbone interact. energy: -0.518
local terms energy: -89.155652
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -8.105
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: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -248.923004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.923004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.923004 (E_RNA)
where:
Base-Base interactions energy: -157.313
where: short stacking energy: -76.559
Base-Backbone interact. energy: -0.007
local terms energy: -91.603085
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -21.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -262.352203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.352203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.352203 (E_RNA)
where:
Base-Base interactions energy: -173.564
where: short stacking energy: -75.470
Base-Backbone interact. energy: -0.221
local terms energy: -88.567138
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -209.901447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.901447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.901447 (E_RNA)
where:
Base-Base interactions energy: -131.394
where: short stacking energy: -57.447
Base-Backbone interact. energy: 0.225
local terms energy: -78.731793
where:
bonds (distance) C4'-P energy: -9.929
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -189.040626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.040626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.040626 (E_RNA)
where:
Base-Base interactions energy: -121.455
where: short stacking energy: -54.891
Base-Backbone interact. energy: -0.042
local terms energy: -67.544058
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -12.953
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: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -89.768424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.768424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.768424 (E_RNA)
where:
Base-Base interactions energy: -40.137
where: short stacking energy: -27.354
Base-Backbone interact. energy: 0.341
local terms energy: -49.971662
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: 2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -101.421920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.421920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.421920 (E_RNA)
where:
Base-Base interactions energy: -34.899
where: short stacking energy: -29.194
Base-Backbone interact. energy: -0.414
local terms energy: -66.109320
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -3.209
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: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -293.922295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.922295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.922295 (E_RNA)
where:
Base-Base interactions energy: -197.529
where: short stacking energy: -92.893
Base-Backbone interact. energy: -0.102
local terms energy: -96.291204
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -27.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -296.436287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.436287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.436287 (E_RNA)
where:
Base-Base interactions energy: -199.261
where: short stacking energy: -87.955
Base-Backbone interact. energy: -0.027
local terms energy: -97.148870
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -20.524
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -25.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -271.995530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.995530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.995530 (E_RNA)
where:
Base-Base interactions energy: -184.674
where: short stacking energy: -84.162
Base-Backbone interact. energy: -0.675
local terms energy: -86.646485
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -11.300
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: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -275.293893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.293893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.293893 (E_RNA)
where:
Base-Base interactions energy: -183.561
where: short stacking energy: -84.437
Base-Backbone interact. energy: -0.081
local terms energy: -91.652242
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -270.742095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.742095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.742095 (E_RNA)
where:
Base-Base interactions energy: -181.254
where: short stacking energy: -87.823
Base-Backbone interact. energy: -0.577
local terms energy: -88.911759
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -29.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -206.112059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.112059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.112059 (E_RNA)
where:
Base-Base interactions energy: -131.795
where: short stacking energy: -70.610
Base-Backbone interact. energy: -0.800
local terms energy: -73.517158
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -256.518819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.518819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.518819 (E_RNA)
where:
Base-Base interactions energy: -171.511
where: short stacking energy: -71.220
Base-Backbone interact. energy: -0.137
local terms energy: -84.871210
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -166.653904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.653904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.653904 (E_RNA)
where:
Base-Base interactions energy: -92.023
where: short stacking energy: -43.883
Base-Backbone interact. energy: -0.184
local terms energy: -74.447721
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -12.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -112.890018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.890018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.890018 (E_RNA)
where:
Base-Base interactions energy: -46.033
where: short stacking energy: -29.392
Base-Backbone interact. energy: -1.159
local terms energy: -65.697630
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -113.413252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.413252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.413252 (E_RNA)
where:
Base-Base interactions energy: -58.988
where: short stacking energy: -29.316
Base-Backbone interact. energy: -1.634
local terms energy: -52.790601
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: 3.828
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: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -300.519048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.519048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.519048 (E_RNA)
where:
Base-Base interactions energy: -210.855
where: short stacking energy: -91.754
Base-Backbone interact. energy: -0.035
local terms energy: -89.628229
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -26.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -284.415103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.415103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.415103 (E_RNA)
where:
Base-Base interactions energy: -190.111
where: short stacking energy: -86.599
Base-Backbone interact. energy: -2.079
local terms energy: -92.224768
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -14.395
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: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -285.712704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.712704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.712704 (E_RNA)
where:
Base-Base interactions energy: -195.421
where: short stacking energy: -86.732
Base-Backbone interact. energy: -0.784
local terms energy: -89.508185
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -26.536
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: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -268.800209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.800209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.800209 (E_RNA)
where:
Base-Base interactions energy: -179.276
where: short stacking energy: -83.241
Base-Backbone interact. energy: -0.004
local terms energy: -89.521069
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -23.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -268.788147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.788147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.788147 (E_RNA)
where:
Base-Base interactions energy: -184.736
where: short stacking energy: -77.630
Base-Backbone interact. energy: 0.722
local terms energy: -84.774771
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -230.199547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.199547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.199547 (E_RNA)
where:
Base-Base interactions energy: -150.646
where: short stacking energy: -68.337
Base-Backbone interact. energy: 0.655
local terms energy: -80.208369
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -245.683907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.683907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.683907 (E_RNA)
where:
Base-Base interactions energy: -164.187
where: short stacking energy: -72.335
Base-Backbone interact. energy: 0.328
local terms energy: -81.824649
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -156.586203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.586203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.586203 (E_RNA)
where:
Base-Base interactions energy: -97.933
where: short stacking energy: -32.775
Base-Backbone interact. energy: 1.177
local terms energy: -59.830456
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -8.379
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -6.799
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: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -107.505757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.505757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.505757 (E_RNA)
where:
Base-Base interactions energy: -55.165
where: short stacking energy: -28.863
Base-Backbone interact. energy: -0.208
local terms energy: -52.132650
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -8.314
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: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -99.046098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.046098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.046098 (E_RNA)
where:
Base-Base interactions energy: -32.213
where: short stacking energy: -18.610
Base-Backbone interact. energy: -0.311
local terms energy: -66.522096
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: 1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -303.144449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.144449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.144449 (E_RNA)
where:
Base-Base interactions energy: -208.413
where: short stacking energy: -85.690
Base-Backbone interact. energy: -0.211
local terms energy: -94.520345
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -25.239
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: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -286.314141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.314141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.314141 (E_RNA)
where:
Base-Base interactions energy: -187.548
where: short stacking energy: -87.878
Base-Backbone interact. energy: -0.029
local terms energy: -98.737381
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -26.208
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: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -278.686489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.686489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.686489 (E_RNA)
where:
Base-Base interactions energy: -193.123
where: short stacking energy: -91.749
Base-Backbone interact. energy: -0.064
local terms energy: -85.499585
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -27.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -270.523751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.523751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.523751 (E_RNA)
where:
Base-Base interactions energy: -191.354
where: short stacking energy: -84.741
Base-Backbone interact. energy: -0.094
local terms energy: -79.075302
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -13.456
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: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -277.120225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.120225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.120225 (E_RNA)
where:
Base-Base interactions energy: -192.085
where: short stacking energy: -82.068
Base-Backbone interact. energy: -0.707
local terms energy: -84.328768
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -11.312
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: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -238.688063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.688063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.688063 (E_RNA)
where:
Base-Base interactions energy: -162.231
where: short stacking energy: -69.630
Base-Backbone interact. energy: -0.410
local terms energy: -76.046857
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -207.178009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.178009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.178009 (E_RNA)
where:
Base-Base interactions energy: -131.297
where: short stacking energy: -54.840
Base-Backbone interact. energy: -0.621
local terms energy: -75.260202
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -181.998238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.998238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.998238 (E_RNA)
where:
Base-Base interactions energy: -115.303
where: short stacking energy: -43.808
Base-Backbone interact. energy: -0.844
local terms energy: -65.851000
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -105.284741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.284741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.284741 (E_RNA)
where:
Base-Base interactions energy: -36.726
where: short stacking energy: -36.726
Base-Backbone interact. energy: -0.027
local terms energy: -68.531441
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -88.981152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.981152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.981152 (E_RNA)
where:
Base-Base interactions energy: -27.738
where: short stacking energy: -24.663
Base-Backbone interact. energy: -1.081
local terms energy: -60.161953
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -308.081356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.081356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.081356 (E_RNA)
where:
Base-Base interactions energy: -213.202
where: short stacking energy: -88.679
Base-Backbone interact. energy: -0.101
local terms energy: -94.779056
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -14.917
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: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -289.456242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.456242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.456242 (E_RNA)
where:
Base-Base interactions energy: -198.922
where: short stacking energy: -83.541
Base-Backbone interact. energy: -1.087
local terms energy: -89.446658
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -12.600
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: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -277.834290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.834290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.834290 (E_RNA)
where:
Base-Base interactions energy: -181.772
where: short stacking energy: -79.533
Base-Backbone interact. energy: -0.151
local terms energy: -95.911204
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -14.103
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: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -274.640998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.640998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.640998 (E_RNA)
where:
Base-Base interactions energy: -184.060
where: short stacking energy: -86.300
Base-Backbone interact. energy: -0.241
local terms energy: -90.340342
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -270.918429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.918429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.918429 (E_RNA)
where:
Base-Base interactions energy: -184.850
where: short stacking energy: -85.797
Base-Backbone interact. energy: -0.094
local terms energy: -85.974528
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -6.997
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: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -251.482815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.482815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.482815 (E_RNA)
where:
Base-Base interactions energy: -172.702
where: short stacking energy: -73.793
Base-Backbone interact. energy: -0.051
local terms energy: -78.729669
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -24.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -204.480173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.480173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.480173 (E_RNA)
where:
Base-Base interactions energy: -126.249
where: short stacking energy: -50.159
Base-Backbone interact. energy: -0.172
local terms energy: -78.059254
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -173.286411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.286411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.286411 (E_RNA)
where:
Base-Base interactions energy: -111.126
where: short stacking energy: -51.618
Base-Backbone interact. energy: 0.360
local terms energy: -62.520442
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -12.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -95.831181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.831181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.831181 (E_RNA)
where:
Base-Base interactions energy: -37.939
where: short stacking energy: -26.663
Base-Backbone interact. energy: 0.225
local terms energy: -58.116669
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -1.131
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: 2
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -88.773780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.773780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.773780 (E_RNA)
where:
Base-Base interactions energy: -41.606
where: short stacking energy: -41.606
Base-Backbone interact. energy: 1.144
local terms energy: -48.311815
where:
bonds (distance) C4'-P energy: -1.813
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -298.494802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.494802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.494802 (E_RNA)
where:
Base-Base interactions energy: -200.121
where: short stacking energy: -82.223
Base-Backbone interact. energy: -0.032
local terms energy: -98.341507
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -290.212532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.212532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.212532 (E_RNA)
where:
Base-Base interactions energy: -194.214
where: short stacking energy: -90.726
Base-Backbone interact. energy: -0.015
local terms energy: -95.983329
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -24.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -280.518172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.518172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.518172 (E_RNA)
where:
Base-Base interactions energy: -189.733
where: short stacking energy: -81.988
Base-Backbone interact. energy: -0.440
local terms energy: -90.345275
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -10.478
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: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -276.363752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.363752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.363752 (E_RNA)
where:
Base-Base interactions energy: -176.313
where: short stacking energy: -84.032
Base-Backbone interact. energy: -0.032
local terms energy: -100.018011
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -28.047
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: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -269.786918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.786918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.786918 (E_RNA)
where:
Base-Base interactions energy: -183.089
where: short stacking energy: -85.400
Base-Backbone interact. energy: -0.452
local terms energy: -86.245219
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -25.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -198.068842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.068842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.068842 (E_RNA)
where:
Base-Base interactions energy: -121.679
where: short stacking energy: -58.222
Base-Backbone interact. energy: 1.303
local terms energy: -77.693065
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -14.980
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: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -236.317035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.317035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.317035 (E_RNA)
where:
Base-Base interactions energy: -160.170
where: short stacking energy: -69.372
Base-Backbone interact. energy: -0.126
local terms energy: -76.020511
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -155.093862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.093862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.093862 (E_RNA)
where:
Base-Base interactions energy: -91.369
where: short stacking energy: -36.570
Base-Backbone interact. energy: -0.240
local terms energy: -63.484988
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -94.979776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.979776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.979776 (E_RNA)
where:
Base-Base interactions energy: -40.631
where: short stacking energy: -25.830
Base-Backbone interact. energy: -1.138
local terms energy: -53.211229
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.972
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: 10, replica: 2
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -85.032231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.032231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.032231 (E_RNA)
where:
Base-Base interactions energy: -29.433
where: short stacking energy: -26.521
Base-Backbone interact. energy: -0.701
local terms energy: -54.897577
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -280.308048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.308048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.308048 (E_RNA)
where:
Base-Base interactions energy: -189.975
where: short stacking energy: -73.120
Base-Backbone interact. energy: 0.093
local terms energy: -90.426018
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -13.421
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: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -292.475143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.475143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.475143 (E_RNA)
where:
Base-Base interactions energy: -198.541
where: short stacking energy: -88.647
Base-Backbone interact. energy: -1.195
local terms energy: -92.739003
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -24.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -282.543509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.543509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.543509 (E_RNA)
where:
Base-Base interactions energy: -204.792
where: short stacking energy: -81.539
Base-Backbone interact. energy: -0.159
local terms energy: -77.592582
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -21.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -281.285368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.285368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.285368 (E_RNA)
where:
Base-Base interactions energy: -193.008
where: short stacking energy: -86.979
Base-Backbone interact. energy: 0.322
local terms energy: -88.600088
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -171.899330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.899330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.899330 (E_RNA)
where:
Base-Base interactions energy: -99.049
where: short stacking energy: -61.117
Base-Backbone interact. energy: -0.010
local terms energy: -72.840349
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -257.991999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.991999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.991999 (E_RNA)
where:
Base-Base interactions energy: -166.803
where: short stacking energy: -76.960
Base-Backbone interact. energy: -0.043
local terms energy: -91.146065
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -15.668
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: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -207.479125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.479125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.479125 (E_RNA)
where:
Base-Base interactions energy: -128.348
where: short stacking energy: -57.505
Base-Backbone interact. energy: -0.166
local terms energy: -78.965258
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -227.737529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.737529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.737529 (E_RNA)
where:
Base-Base interactions energy: -152.082
where: short stacking energy: -68.097
Base-Backbone interact. energy: -0.442
local terms energy: -75.213911
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -20.835
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: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -98.168707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.168707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.168707 (E_RNA)
where:
Base-Base interactions energy: -47.116
where: short stacking energy: -37.791
Base-Backbone interact. energy: -0.169
local terms energy: -50.883478
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -95.622988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.622988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.622988 (E_RNA)
where:
Base-Base interactions energy: -35.864
where: short stacking energy: -31.683
Base-Backbone interact. energy: -0.112
local terms energy: -59.647835
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -2.206
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: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -292.864461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.864461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.864461 (E_RNA)
where:
Base-Base interactions energy: -202.843
where: short stacking energy: -77.461
Base-Backbone interact. energy: -0.372
local terms energy: -89.649780
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -17.213
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: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -286.584405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.584405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.584405 (E_RNA)
where:
Base-Base interactions energy: -194.335
where: short stacking energy: -84.357
Base-Backbone interact. energy: -0.005
local terms energy: -92.244118
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -23.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -274.822226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.822226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.822226 (E_RNA)
where:
Base-Base interactions energy: -185.191
where: short stacking energy: -78.724
Base-Backbone interact. energy: -0.084
local terms energy: -89.547296
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -25.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -283.399924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.399924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.399924 (E_RNA)
where:
Base-Base interactions energy: -199.071
where: short stacking energy: -81.851
Base-Backbone interact. energy: -0.229
local terms energy: -84.099883
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -21.778
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: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -223.675321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.675321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.675321 (E_RNA)
where:
Base-Base interactions energy: -145.425
where: short stacking energy: -66.723
Base-Backbone interact. energy: -0.005
local terms energy: -78.245819
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -247.293960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.293960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.293960 (E_RNA)
where:
Base-Base interactions energy: -158.216
where: short stacking energy: -70.289
Base-Backbone interact. energy: -0.117
local terms energy: -88.961236
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -190.689567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.689567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.689567 (E_RNA)
where:
Base-Base interactions energy: -127.992
where: short stacking energy: -52.744
Base-Backbone interact. energy: -0.178
local terms energy: -62.520119
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -224.744781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.744781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.744781 (E_RNA)
where:
Base-Base interactions energy: -152.280
where: short stacking energy: -66.339
Base-Backbone interact. energy: -0.046
local terms energy: -72.418095
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -17.475
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: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -88.612622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.612622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.612622 (E_RNA)
where:
Base-Base interactions energy: -24.221
where: short stacking energy: -21.890
Base-Backbone interact. energy: 0.040
local terms energy: -64.431416
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -88.706560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.706560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.706560 (E_RNA)
where:
Base-Base interactions energy: -28.034
where: short stacking energy: -24.755
Base-Backbone interact. energy: -0.096
local terms energy: -60.576198
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -287.260001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.260001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.260001 (E_RNA)
where:
Base-Base interactions energy: -190.865
where: short stacking energy: -85.410
Base-Backbone interact. energy: -0.046
local terms energy: -96.348857
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -21.676
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -284.566292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.566292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.566292 (E_RNA)
where:
Base-Base interactions energy: -182.338
where: short stacking energy: -89.721
Base-Backbone interact. energy: 0.966
local terms energy: -103.194545
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -27.343
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: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -290.251003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.251003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.251003 (E_RNA)
where:
Base-Base interactions energy: -190.142
where: short stacking energy: -83.634
Base-Backbone interact. energy: -0.200
local terms energy: -99.908729
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -272.297544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.297544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.297544 (E_RNA)
where:
Base-Base interactions energy: -179.534
where: short stacking energy: -77.995
Base-Backbone interact. energy: -0.102
local terms energy: -92.661634
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -24.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -263.650036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.650036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.650036 (E_RNA)
where:
Base-Base interactions energy: -184.521
where: short stacking energy: -76.376
Base-Backbone interact. energy: -0.126
local terms energy: -79.003876
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -225.819389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.819389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.819389 (E_RNA)
where:
Base-Base interactions energy: -148.840
where: short stacking energy: -63.197
Base-Backbone interact. energy: -0.293
local terms energy: -76.686274
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -23.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -236.494685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.494685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.494685 (E_RNA)
where:
Base-Base interactions energy: -159.088
where: short stacking energy: -69.339
Base-Backbone interact. energy: -0.890
local terms energy: -76.517086
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -22.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -198.560145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.560145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.560145 (E_RNA)
where:
Base-Base interactions energy: -130.804
where: short stacking energy: -52.935
Base-Backbone interact. energy: -0.121
local terms energy: -67.635258
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -96.928069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.928069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.928069 (E_RNA)
where:
Base-Base interactions energy: -33.023
where: short stacking energy: -33.023
Base-Backbone interact. energy: -0.052
local terms energy: -63.852698
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -84.242058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.242058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.242058 (E_RNA)
where:
Base-Base interactions energy: -26.355
where: short stacking energy: -26.355
Base-Backbone interact. energy: 0.476
local terms energy: -58.363298
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -3.416
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: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -274.702762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.702762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.702762 (E_RNA)
where:
Base-Base interactions energy: -192.357
where: short stacking energy: -74.862
Base-Backbone interact. energy: -0.185
local terms energy: -82.161100
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -10.126
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: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -282.749614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.749614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.749614 (E_RNA)
where:
Base-Base interactions energy: -187.487
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.136
local terms energy: -95.126183
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -15.397
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: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -271.585100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.585100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.585100 (E_RNA)
where:
Base-Base interactions energy: -188.259
where: short stacking energy: -78.601
Base-Backbone interact. energy: -0.248
local terms energy: -83.077278
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -22.394
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -19.339
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: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -281.192422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.192422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.192422 (E_RNA)
where:
Base-Base interactions energy: -190.835
where: short stacking energy: -77.784
Base-Backbone interact. energy: -0.155
local terms energy: -90.202878
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -10.874
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: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -264.667092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.667092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.667092 (E_RNA)
where:
Base-Base interactions energy: -171.815
where: short stacking energy: -72.786
Base-Backbone interact. energy: -0.243
local terms energy: -92.608636
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -230.780366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.780366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.780366 (E_RNA)
where:
Base-Base interactions energy: -154.900
where: short stacking energy: -69.506
Base-Backbone interact. energy: -0.035
local terms energy: -75.844636
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -209.093568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.093568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.093568 (E_RNA)
where:
Base-Base interactions energy: -130.577
where: short stacking energy: -56.054
Base-Backbone interact. energy: -0.066
local terms energy: -78.450198
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -195.938203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.938203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.938203 (E_RNA)
where:
Base-Base interactions energy: -126.013
where: short stacking energy: -53.715
Base-Backbone interact. energy: 1.244
local terms energy: -71.169048
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -92.120830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.120830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.120830 (E_RNA)
where:
Base-Base interactions energy: -38.731
where: short stacking energy: -29.728
Base-Backbone interact. energy: 0.071
local terms energy: -53.460202
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -92.566783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.566783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.566783 (E_RNA)
where:
Base-Base interactions energy: -38.127
where: short stacking energy: -34.873
Base-Backbone interact. energy: -0.299
local terms energy: -54.140672
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -2.651
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: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -301.387822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.387822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.387822 (E_RNA)
where:
Base-Base interactions energy: -211.628
where: short stacking energy: -88.260
Base-Backbone interact. energy: -0.102
local terms energy: -89.657570
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -26.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -287.736423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.736423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.736423 (E_RNA)
where:
Base-Base interactions energy: -189.636
where: short stacking energy: -86.183
Base-Backbone interact. energy: -0.167
local terms energy: -97.932898
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -14.004
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: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -278.220480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.220480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.220480 (E_RNA)
where:
Base-Base interactions energy: -187.890
where: short stacking energy: -73.326
Base-Backbone interact. energy: -0.020
local terms energy: -90.309498
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -272.147309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.147309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.147309 (E_RNA)
where:
Base-Base interactions energy: -189.078
where: short stacking energy: -84.413
Base-Backbone interact. energy: -0.033
local terms energy: -83.036199
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -261.311977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.311977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.311977 (E_RNA)
where:
Base-Base interactions energy: -169.411
where: short stacking energy: -72.537
Base-Backbone interact. energy: -0.058
local terms energy: -91.842864
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -236.190688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.190688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.190688 (E_RNA)
where:
Base-Base interactions energy: -151.712
where: short stacking energy: -64.044
Base-Backbone interact. energy: -1.081
local terms energy: -83.397329
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -217.709368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.709368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.709368 (E_RNA)
where:
Base-Base interactions energy: -135.604
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.147
local terms energy: -81.959123
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -21.381
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: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -191.742075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.742075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.742075 (E_RNA)
where:
Base-Base interactions energy: -119.785
where: short stacking energy: -54.666
Base-Backbone interact. energy: -0.467
local terms energy: -71.490094
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -99.703258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.703258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.703258 (E_RNA)
where:
Base-Base interactions energy: -40.474
where: short stacking energy: -19.178
Base-Backbone interact. energy: -0.752
local terms energy: -58.476834
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: 2.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -84.324821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.324821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.324821 (E_RNA)
where:
Base-Base interactions energy: -28.297
where: short stacking energy: -28.297
Base-Backbone interact. energy: -0.102
local terms energy: -55.925843
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -1.630
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: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -290.139649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.139649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.139649 (E_RNA)
where:
Base-Base interactions energy: -200.756
where: short stacking energy: -79.520
Base-Backbone interact. energy: -0.107
local terms energy: -89.276737
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -12.539
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: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -291.889103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.889103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.889103 (E_RNA)
where:
Base-Base interactions energy: -196.281
where: short stacking energy: -86.587
Base-Backbone interact. energy: -0.127
local terms energy: -95.481257
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -16.439
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: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -277.097580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.097580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.097580 (E_RNA)
where:
Base-Base interactions energy: -190.301
where: short stacking energy: -82.155
Base-Backbone interact. energy: 1.766
local terms energy: -88.562273
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -269.180791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.180791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.180791 (E_RNA)
where:
Base-Base interactions energy: -186.723
where: short stacking energy: -71.291
Base-Backbone interact. energy: -0.249
local terms energy: -82.209213
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -268.788499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.788499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.788499 (E_RNA)
where:
Base-Base interactions energy: -172.463
where: short stacking energy: -71.380
Base-Backbone interact. energy: -0.075
local terms energy: -96.250841
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -24.034
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: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -231.257771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.257771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.257771 (E_RNA)
where:
Base-Base interactions energy: -153.446
where: short stacking energy: -80.632
Base-Backbone interact. energy: -0.002
local terms energy: -77.809592
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -9.130
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: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -235.627218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.627218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.627218 (E_RNA)
where:
Base-Base interactions energy: -151.038
where: short stacking energy: -64.449
Base-Backbone interact. energy: -0.373
local terms energy: -84.216386
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -197.322521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.322521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.322521 (E_RNA)
where:
Base-Base interactions energy: -127.340
where: short stacking energy: -59.230
Base-Backbone interact. energy: -0.347
local terms energy: -69.635790
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -101.354605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.354605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.354605 (E_RNA)
where:
Base-Base interactions energy: -36.445
where: short stacking energy: -32.004
Base-Backbone interact. energy: -0.167
local terms energy: -64.742523
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -91.443900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.443900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.443900 (E_RNA)
where:
Base-Base interactions energy: -36.549
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.230
local terms energy: -54.664430
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -304.688043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.688043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.688043 (E_RNA)
where:
Base-Base interactions energy: -207.266
where: short stacking energy: -86.350
Base-Backbone interact. energy: -0.101
local terms energy: -97.320909
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -28.953
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: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -297.744935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.744935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.744935 (E_RNA)
where:
Base-Base interactions energy: -204.441
where: short stacking energy: -82.726
Base-Backbone interact. energy: -0.427
local terms energy: -92.876175
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -286.100264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.100264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.100264 (E_RNA)
where:
Base-Base interactions energy: -190.540
where: short stacking energy: -94.189
Base-Backbone interact. energy: -0.031
local terms energy: -95.529577
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -27.553
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: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -249.432943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.432943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.432943 (E_RNA)
where:
Base-Base interactions energy: -162.583
where: short stacking energy: -71.702
Base-Backbone interact. energy: -0.012
local terms energy: -86.838233
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -13.227
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: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -270.621088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.621088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.621088 (E_RNA)
where:
Base-Base interactions energy: -180.406
where: short stacking energy: -73.419
Base-Backbone interact. energy: -0.029
local terms energy: -90.187040
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -13.134
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: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -216.786007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.786007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.786007 (E_RNA)
where:
Base-Base interactions energy: -143.406
where: short stacking energy: -65.362
Base-Backbone interact. energy: 0.132
local terms energy: -73.511293
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -10.034
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: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -200.111351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.111351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.111351 (E_RNA)
where:
Base-Base interactions energy: -128.188
where: short stacking energy: -62.837
Base-Backbone interact. energy: -0.536
local terms energy: -71.387877
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -225.449738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.449738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.449738 (E_RNA)
where:
Base-Base interactions energy: -145.646
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.200
local terms energy: -79.603855
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -89.365415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.365415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.365415 (E_RNA)
where:
Base-Base interactions energy: -39.815
where: short stacking energy: -31.187
Base-Backbone interact. energy: 0.677
local terms energy: -50.227744
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -2.131
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: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -92.218206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.218206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.218206 (E_RNA)
where:
Base-Base interactions energy: -28.986
where: short stacking energy: -27.385
Base-Backbone interact. energy: 1.270
local terms energy: -64.501762
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -289.573501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.573501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.573501 (E_RNA)
where:
Base-Base interactions energy: -193.388
where: short stacking energy: -76.918
Base-Backbone interact. energy: -0.025
local terms energy: -96.160507
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -282.923579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.923579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.923579 (E_RNA)
where:
Base-Base interactions energy: -193.800
where: short stacking energy: -77.384
Base-Backbone interact. energy: -0.213
local terms energy: -88.910713
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -300.671021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.671021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.671021 (E_RNA)
where:
Base-Base interactions energy: -199.307
where: short stacking energy: -83.129
Base-Backbone interact. energy: -0.084
local terms energy: -101.280027
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -23.852
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -278.160317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.160317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.160317 (E_RNA)
where:
Base-Base interactions energy: -190.226
where: short stacking energy: -74.305
Base-Backbone interact. energy: -0.109
local terms energy: -87.825393
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -23.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -235.555824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.555824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.555824 (E_RNA)
where:
Base-Base interactions energy: -156.890
where: short stacking energy: -71.456
Base-Backbone interact. energy: 1.960
local terms energy: -80.625675
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -15.745
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: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -223.518554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.518554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.518554 (E_RNA)
where:
Base-Base interactions energy: -133.677
where: short stacking energy: -57.372
Base-Backbone interact. energy: -0.729
local terms energy: -89.112339
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -19.120
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: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -214.161755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.161755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.161755 (E_RNA)
where:
Base-Base interactions energy: -130.664
where: short stacking energy: -51.395
Base-Backbone interact. energy: -0.071
local terms energy: -83.425827
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -17.342
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: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -231.203851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.203851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.203851 (E_RNA)
where:
Base-Base interactions energy: -151.926
where: short stacking energy: -67.458
Base-Backbone interact. energy: -0.004
local terms energy: -79.273469
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -10.115
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: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -100.297052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.297052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.297052 (E_RNA)
where:
Base-Base interactions energy: -37.810
where: short stacking energy: -37.234
Base-Backbone interact. energy: -0.070
local terms energy: -62.417181
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -84.754545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.754545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.754545 (E_RNA)
where:
Base-Base interactions energy: -25.620
where: short stacking energy: -19.119
Base-Backbone interact. energy: 0.584
local terms energy: -59.717950
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -5.654
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: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -289.721493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.721493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.721493 (E_RNA)
where:
Base-Base interactions energy: -191.185
where: short stacking energy: -87.719
Base-Backbone interact. energy: -0.106
local terms energy: -98.431040
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -28.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -278.492663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.492663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.492663 (E_RNA)
where:
Base-Base interactions energy: -193.534
where: short stacking energy: -75.409
Base-Backbone interact. energy: -0.303
local terms energy: -84.655658
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -21.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -285.203970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.203970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.203970 (E_RNA)
where:
Base-Base interactions energy: -201.005
where: short stacking energy: -74.036
Base-Backbone interact. energy: -0.192
local terms energy: -84.007146
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -9.532
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: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -280.963002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.963002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.963002 (E_RNA)
where:
Base-Base interactions energy: -200.918
where: short stacking energy: -92.280
Base-Backbone interact. energy: -0.289
local terms energy: -79.756078
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -25.779
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: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -247.381137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.381137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.381137 (E_RNA)
where:
Base-Base interactions energy: -170.718
where: short stacking energy: -69.281
Base-Backbone interact. energy: -1.006
local terms energy: -75.656279
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -221.614000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.614000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.614000 (E_RNA)
where:
Base-Base interactions energy: -149.876
where: short stacking energy: -71.118
Base-Backbone interact. energy: 2.929
local terms energy: -74.666985
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -259.058284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.058284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.058284 (E_RNA)
where:
Base-Base interactions energy: -171.512
where: short stacking energy: -77.304
Base-Backbone interact. energy: 0.447
local terms energy: -87.993889
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -19.188
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: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -218.397940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.397940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.397940 (E_RNA)
where:
Base-Base interactions energy: -136.450
where: short stacking energy: -53.791
Base-Backbone interact. energy: 0.675
local terms energy: -82.622635
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -91.035495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.035495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.035495 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.161
local terms energy: -58.582533
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -101.359252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.359252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.359252 (E_RNA)
where:
Base-Base interactions energy: -33.946
where: short stacking energy: -26.635
Base-Backbone interact. energy: -0.067
local terms energy: -67.346275
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -298.931413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.931413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.931413 (E_RNA)
where:
Base-Base interactions energy: -202.669
where: short stacking energy: -81.452
Base-Backbone interact. energy: 1.074
local terms energy: -97.337215
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -25.312
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: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -291.353097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.353097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.353097 (E_RNA)
where:
Base-Base interactions energy: -199.956
where: short stacking energy: -79.641
Base-Backbone interact. energy: -0.059
local terms energy: -91.338632
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -13.281
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: 231
Temperature: 1.000000
Total energy: -293.600312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.600312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.600312 (E_RNA)
where:
Base-Base interactions energy: -199.164
where: short stacking energy: -84.652
Base-Backbone interact. energy: -0.104
local terms energy: -94.332587
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -26.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -259.378743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.378743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.378743 (E_RNA)
where:
Base-Base interactions energy: -176.320
where: short stacking energy: -74.382
Base-Backbone interact. energy: -0.385
local terms energy: -82.673526
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -271.638746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.638746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.638746 (E_RNA)
where:
Base-Base interactions energy: -182.902
where: short stacking energy: -82.050
Base-Backbone interact. energy: -0.213
local terms energy: -88.523972
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -26.017
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: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -236.231324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.231324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.231324 (E_RNA)
where:
Base-Base interactions energy: -158.463
where: short stacking energy: -72.196
Base-Backbone interact. energy: -0.101
local terms energy: -77.666510
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -210.605612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.605612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.605612 (E_RNA)
where:
Base-Base interactions energy: -125.391
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.233
local terms energy: -84.981760
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -205.483129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.483129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.483129 (E_RNA)
where:
Base-Base interactions energy: -139.032
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.757
local terms energy: -65.694316
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -97.275684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.275684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.275684 (E_RNA)
where:
Base-Base interactions energy: -46.713
where: short stacking energy: -38.485
Base-Backbone interact. energy: 1.079
local terms energy: -51.641319
where:
bonds (distance) C4'-P energy: -8.244
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -9.216
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: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -91.003696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.003696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.003696 (E_RNA)
where:
Base-Base interactions energy: -30.966
where: short stacking energy: -18.760
Base-Backbone interact. energy: -0.509
local terms energy: -59.528548
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: 2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -296.187352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.187352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.187352 (E_RNA)
where:
Base-Base interactions energy: -205.414
where: short stacking energy: -84.684
Base-Backbone interact. energy: -0.092
local terms energy: -90.681685
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -14.753
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: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -286.854797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.854797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.854797 (E_RNA)
where:
Base-Base interactions energy: -200.041
where: short stacking energy: -80.660
Base-Backbone interact. energy: -0.678
local terms energy: -86.136541
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -11.963
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: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -279.850314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.850314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.850314 (E_RNA)
where:
Base-Base interactions energy: -193.364
where: short stacking energy: -78.164
Base-Backbone interact. energy: -0.031
local terms energy: -86.455119
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -11.445
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: 4, replica: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -268.719168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.719168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.719168 (E_RNA)
where:
Base-Base interactions energy: -181.448
where: short stacking energy: -75.984
Base-Backbone interact. energy: -0.464
local terms energy: -86.807258
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -6.211
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: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -242.408275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.408275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.408275 (E_RNA)
where:
Base-Base interactions energy: -163.608
where: short stacking energy: -69.524
Base-Backbone interact. energy: -0.050
local terms energy: -78.750004
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -16.998
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: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -260.955640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.955640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.955640 (E_RNA)
where:
Base-Base interactions energy: -178.541
where: short stacking energy: -72.465
Base-Backbone interact. energy: -0.047
local terms energy: -82.367167
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -216.922780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.922780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.922780 (E_RNA)
where:
Base-Base interactions energy: -140.731
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.140
local terms energy: -76.051595
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -171.579265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.579265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.579265 (E_RNA)
where:
Base-Base interactions energy: -110.092
where: short stacking energy: -37.078
Base-Backbone interact. energy: -0.211
local terms energy: -61.275560
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -101.300097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.300097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.300097 (E_RNA)
where:
Base-Base interactions energy: -42.062
where: short stacking energy: -42.062
Base-Backbone interact. energy: 0.142
local terms energy: -59.379657
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -104.574222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.574222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.574222 (E_RNA)
where:
Base-Base interactions energy: -44.019
where: short stacking energy: -26.342
Base-Backbone interact. energy: -0.116
local terms energy: -60.439605
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -2.974
tors. eta vs tors. theta energy: -9.572
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: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -293.357941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.357941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.357941 (E_RNA)
where:
Base-Base interactions energy: -202.028
where: short stacking energy: -79.484
Base-Backbone interact. energy: -0.099
local terms energy: -91.230750
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -25.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -292.360776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.360776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.360776 (E_RNA)
where:
Base-Base interactions energy: -199.638
where: short stacking energy: -88.672
Base-Backbone interact. energy: 0.091
local terms energy: -92.814154
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -24.049
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: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -276.495500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.495500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.495500 (E_RNA)
where:
Base-Base interactions energy: -179.575
where: short stacking energy: -69.727
Base-Backbone interact. energy: -0.811
local terms energy: -96.109132
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -267.402936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.402936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.402936 (E_RNA)
where:
Base-Base interactions energy: -179.398
where: short stacking energy: -81.126
Base-Backbone interact. energy: -0.271
local terms energy: -87.733877
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -23.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -256.446720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.446720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.446720 (E_RNA)
where:
Base-Base interactions energy: -167.037
where: short stacking energy: -65.773
Base-Backbone interact. energy: -0.203
local terms energy: -89.206084
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -223.380652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.380652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.380652 (E_RNA)
where:
Base-Base interactions energy: -139.835
where: short stacking energy: -64.715
Base-Backbone interact. energy: 0.719
local terms energy: -84.265089
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -246.432893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.432893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.432893 (E_RNA)
where:
Base-Base interactions energy: -164.125
where: short stacking energy: -71.296
Base-Backbone interact. energy: -0.114
local terms energy: -82.194154
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -18.873
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: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -174.839482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.839482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.839482 (E_RNA)
where:
Base-Base interactions energy: -106.689
where: short stacking energy: -43.243
Base-Backbone interact. energy: -0.337
local terms energy: -67.813512
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -89.784169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.784169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.784169 (E_RNA)
where:
Base-Base interactions energy: -46.804
where: short stacking energy: -31.365
Base-Backbone interact. energy: 1.956
local terms energy: -44.936243
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: 0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -87.165238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.165238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.165238 (E_RNA)
where:
Base-Base interactions energy: -27.490
where: short stacking energy: -22.864
Base-Backbone interact. energy: -0.354
local terms energy: -59.321408
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -4.740
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: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -281.569933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.569933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.569933 (E_RNA)
where:
Base-Base interactions energy: -186.073
where: short stacking energy: -82.666
Base-Backbone interact. energy: -1.047
local terms energy: -94.449609
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -14.449
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: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -290.419840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.419840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.419840 (E_RNA)
where:
Base-Base interactions energy: -198.450
where: short stacking energy: -85.769
Base-Backbone interact. energy: -0.407
local terms energy: -91.563345
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -21.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -284.458367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.458367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.458367 (E_RNA)
where:
Base-Base interactions energy: -189.446
where: short stacking energy: -77.550
Base-Backbone interact. energy: -0.544
local terms energy: -94.468590
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -13.755
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: 4, replica: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -268.569329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.569329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.569329 (E_RNA)
where:
Base-Base interactions energy: -183.899
where: short stacking energy: -76.730
Base-Backbone interact. energy: -0.193
local terms energy: -84.477002
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -253.793880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.793880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.793880 (E_RNA)
where:
Base-Base interactions energy: -165.836
where: short stacking energy: -74.695
Base-Backbone interact. energy: -0.168
local terms energy: -87.790048
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -22.245
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -23.566
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: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -211.469213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.469213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.469213 (E_RNA)
where:
Base-Base interactions energy: -132.796
where: short stacking energy: -57.801
Base-Backbone interact. energy: 1.426
local terms energy: -80.099839
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -254.457007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.457007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.457007 (E_RNA)
where:
Base-Base interactions energy: -164.758
where: short stacking energy: -73.475
Base-Backbone interact. energy: -0.743
local terms energy: -88.955332
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -20.009
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: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -204.140922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.140922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.140922 (E_RNA)
where:
Base-Base interactions energy: -135.021
where: short stacking energy: -55.868
Base-Backbone interact. energy: -0.322
local terms energy: -68.798312
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -90.989381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.989381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.989381 (E_RNA)
where:
Base-Base interactions energy: -32.576
where: short stacking energy: -24.398
Base-Backbone interact. energy: -0.055
local terms energy: -58.358069
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -93.957664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.957664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.957664 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -35.401
Base-Backbone interact. energy: -0.267
local terms energy: -58.390297
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -281.982700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.982700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.982700 (E_RNA)
where:
Base-Base interactions energy: -188.287
where: short stacking energy: -77.532
Base-Backbone interact. energy: -0.900
local terms energy: -92.795194
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -286.242552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.242552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.242552 (E_RNA)
where:
Base-Base interactions energy: -192.433
where: short stacking energy: -89.332
Base-Backbone interact. energy: -1.262
local terms energy: -92.547584
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -28.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -275.876790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.876790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.876790 (E_RNA)
where:
Base-Base interactions energy: -182.058
where: short stacking energy: -89.763
Base-Backbone interact. energy: -0.014
local terms energy: -93.805161
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -23.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -275.755726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.755726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.755726 (E_RNA)
where:
Base-Base interactions energy: -189.158
where: short stacking energy: -82.885
Base-Backbone interact. energy: -0.176
local terms energy: -86.421560
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -24.068
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: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -250.275513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.275513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.275513 (E_RNA)
where:
Base-Base interactions energy: -159.759
where: short stacking energy: -74.494
Base-Backbone interact. energy: -0.732
local terms energy: -89.783984
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -229.876718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.876718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.876718 (E_RNA)
where:
Base-Base interactions energy: -154.109
where: short stacking energy: -58.704
Base-Backbone interact. energy: -0.293
local terms energy: -75.475086
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -213.551773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.551773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.551773 (E_RNA)
where:
Base-Base interactions energy: -134.267
where: short stacking energy: -63.147
Base-Backbone interact. energy: -0.619
local terms energy: -78.666156
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -205.867895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.867895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.867895 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -53.374
Base-Backbone interact. energy: -0.664
local terms energy: -68.222535
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -95.501353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.501353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.501353 (E_RNA)
where:
Base-Base interactions energy: -43.046
where: short stacking energy: -35.756
Base-Backbone interact. energy: -0.201
local terms energy: -52.254090
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: 1.276
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -91.064961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.064961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.064961 (E_RNA)
where:
Base-Base interactions energy: -27.414
where: short stacking energy: -23.679
Base-Backbone interact. energy: -0.954
local terms energy: -62.696501
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -9.085
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: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -288.305721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.305721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.305721 (E_RNA)
where:
Base-Base interactions energy: -193.316
where: short stacking energy: -76.104
Base-Backbone interact. energy: -0.054
local terms energy: -94.935332
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -14.291
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: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -279.186860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.186860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.186860 (E_RNA)
where:
Base-Base interactions energy: -194.401
where: short stacking energy: -84.131
Base-Backbone interact. energy: -0.087
local terms energy: -84.698234
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -15.420
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: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -286.399447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.399447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.399447 (E_RNA)
where:
Base-Base interactions energy: -198.103
where: short stacking energy: -77.686
Base-Backbone interact. energy: 0.384
local terms energy: -88.680969
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -14.903
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: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -276.317431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.317431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.317431 (E_RNA)
where:
Base-Base interactions energy: -184.623
where: short stacking energy: -73.814
Base-Backbone interact. energy: -0.012
local terms energy: -91.681654
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -12.602
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: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -255.007478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.007478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.007478 (E_RNA)
where:
Base-Base interactions energy: -160.171
where: short stacking energy: -72.153
Base-Backbone interact. energy: -0.377
local terms energy: -94.458911
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -236.178830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.178830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.178830 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -58.346
Base-Backbone interact. energy: -0.614
local terms energy: -87.327810
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -205.646982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.646982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.646982 (E_RNA)
where:
Base-Base interactions energy: -124.667
where: short stacking energy: -46.185
Base-Backbone interact. energy: -0.143
local terms energy: -80.836757
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -198.381758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.381758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.381758 (E_RNA)
where:
Base-Base interactions energy: -134.469
where: short stacking energy: -53.435
Base-Backbone interact. energy: 0.745
local terms energy: -64.657085
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -102.718339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.718339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.718339 (E_RNA)
where:
Base-Base interactions energy: -44.822
where: short stacking energy: -33.520
Base-Backbone interact. energy: -0.013
local terms energy: -57.883271
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -93.640779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.640779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.640779 (E_RNA)
where:
Base-Base interactions energy: -36.877
where: short stacking energy: -31.368
Base-Backbone interact. energy: -0.038
local terms energy: -56.725548
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -302.941360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.941360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.941360 (E_RNA)
where:
Base-Base interactions energy: -211.829
where: short stacking energy: -81.828
Base-Backbone interact. energy: -0.059
local terms energy: -91.054120
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -22.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -290.405897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.405897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.405897 (E_RNA)
where:
Base-Base interactions energy: -193.152
where: short stacking energy: -82.052
Base-Backbone interact. energy: -0.077
local terms energy: -97.177380
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -24.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -268.897147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.897147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.897147 (E_RNA)
where:
Base-Base interactions energy: -173.657
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.101
local terms energy: -95.139581
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -23.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -274.203822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.203822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.203822 (E_RNA)
where:
Base-Base interactions energy: -189.351
where: short stacking energy: -79.835
Base-Backbone interact. energy: -0.928
local terms energy: -83.925195
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -23.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -243.447056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.447056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.447056 (E_RNA)
where:
Base-Base interactions energy: -158.067
where: short stacking energy: -70.805
Base-Backbone interact. energy: -0.006
local terms energy: -85.374059
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -241.790601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.790601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.790601 (E_RNA)
where:
Base-Base interactions energy: -163.117
where: short stacking energy: -68.586
Base-Backbone interact. energy: -0.420
local terms energy: -78.253469
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -179.928062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.928062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.928062 (E_RNA)
where:
Base-Base interactions energy: -110.324
where: short stacking energy: -51.723
Base-Backbone interact. energy: 0.722
local terms energy: -70.326224
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -201.105455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.105455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.105455 (E_RNA)
where:
Base-Base interactions energy: -130.085
where: short stacking energy: -53.706
Base-Backbone interact. energy: -0.447
local terms energy: -70.573496
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -5.644
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: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -99.645116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.645116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.645116 (E_RNA)
where:
Base-Base interactions energy: -49.891
where: short stacking energy: -16.560
Base-Backbone interact. energy: -0.251
local terms energy: -49.503463
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: 3.138
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: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -89.727177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.727177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.727177 (E_RNA)
where:
Base-Base interactions energy: -24.030
where: short stacking energy: -21.124
Base-Backbone interact. energy: -0.023
local terms energy: -65.673501
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -297.872797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.872797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.872797 (E_RNA)
where:
Base-Base interactions energy: -201.081
where: short stacking energy: -79.413
Base-Backbone interact. energy: -0.011
local terms energy: -96.780549
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -23.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -290.212656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.212656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.212656 (E_RNA)
where:
Base-Base interactions energy: -191.430
where: short stacking energy: -87.862
Base-Backbone interact. energy: -0.072
local terms energy: -98.711394
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -28.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -287.470543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.470543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.470543 (E_RNA)
where:
Base-Base interactions energy: -192.105
where: short stacking energy: -85.285
Base-Backbone interact. energy: -0.192
local terms energy: -95.173625
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -26.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -248.332806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.332806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.332806 (E_RNA)
where:
Base-Base interactions energy: -170.565
where: short stacking energy: -66.256
Base-Backbone interact. energy: -0.382
local terms energy: -77.385211
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -273.263539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.263539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.263539 (E_RNA)
where:
Base-Base interactions energy: -176.157
where: short stacking energy: -83.477
Base-Backbone interact. energy: -0.013
local terms energy: -97.093792
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -27.699
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: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -236.942743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.942743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.942743 (E_RNA)
where:
Base-Base interactions energy: -153.598
where: short stacking energy: -76.402
Base-Backbone interact. energy: 0.775
local terms energy: -84.119048
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -21.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -218.763449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.763449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.763449 (E_RNA)
where:
Base-Base interactions energy: -141.824
where: short stacking energy: -68.697
Base-Backbone interact. energy: -0.039
local terms energy: -76.900142
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -165.606532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.606532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.606532 (E_RNA)
where:
Base-Base interactions energy: -96.453
where: short stacking energy: -54.228
Base-Backbone interact. energy: -0.070
local terms energy: -69.083050
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -104.215705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.215705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.215705 (E_RNA)
where:
Base-Base interactions energy: -43.014
where: short stacking energy: -28.398
Base-Backbone interact. energy: -0.128
local terms energy: -61.073558
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -97.261351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.261351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.261351 (E_RNA)
where:
Base-Base interactions energy: -41.502
where: short stacking energy: -34.477
Base-Backbone interact. energy: -0.046
local terms energy: -55.713455
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -299.999050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.999050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.999050 (E_RNA)
where:
Base-Base interactions energy: -204.536
where: short stacking energy: -85.535
Base-Backbone interact. energy: -0.043
local terms energy: -95.419400
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -25.306
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: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -281.117367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.117367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.117367 (E_RNA)
where:
Base-Base interactions energy: -185.528
where: short stacking energy: -82.791
Base-Backbone interact. energy: -0.014
local terms energy: -95.575799
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -12.227
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: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -277.347856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.347856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.347856 (E_RNA)
where:
Base-Base interactions energy: -190.028
where: short stacking energy: -75.834
Base-Backbone interact. energy: -0.080
local terms energy: -87.239912
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -23.601
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: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -274.382429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.382429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.382429 (E_RNA)
where:
Base-Base interactions energy: -191.411
where: short stacking energy: -85.653
Base-Backbone interact. energy: 0.374
local terms energy: -83.345014
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -12.607
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: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -253.592740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.592740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.592740 (E_RNA)
where:
Base-Base interactions energy: -166.387
where: short stacking energy: -70.596
Base-Backbone interact. energy: -0.013
local terms energy: -87.192098
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -12.787
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: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -218.193483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.193483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.193483 (E_RNA)
where:
Base-Base interactions energy: -137.191
where: short stacking energy: -58.205
Base-Backbone interact. energy: -0.019
local terms energy: -80.983897
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -17.323
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: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -228.117818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.117818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.117818 (E_RNA)
where:
Base-Base interactions energy: -146.373
where: short stacking energy: -59.377
Base-Backbone interact. energy: 0.016
local terms energy: -81.760715
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -147.885569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.885569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.885569 (E_RNA)
where:
Base-Base interactions energy: -84.758
where: short stacking energy: -37.378
Base-Backbone interact. energy: -0.106
local terms energy: -63.021416
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -95.514615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.514615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.514615 (E_RNA)
where:
Base-Base interactions energy: -40.489
where: short stacking energy: -38.127
Base-Backbone interact. energy: -0.146
local terms energy: -54.879814
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -91.267341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.267341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.267341 (E_RNA)
where:
Base-Base interactions energy: -42.138
where: short stacking energy: -27.431
Base-Backbone interact. energy: -0.264
local terms energy: -48.865622
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -295.531298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.531298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.531298 (E_RNA)
where:
Base-Base interactions energy: -201.717
where: short stacking energy: -88.700
Base-Backbone interact. energy: -0.170
local terms energy: -93.643577
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -29.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -289.624000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.624000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.624000 (E_RNA)
where:
Base-Base interactions energy: -198.950
where: short stacking energy: -79.882
Base-Backbone interact. energy: -0.700
local terms energy: -89.973390
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -25.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -285.393291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.393291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.393291 (E_RNA)
where:
Base-Base interactions energy: -194.732
where: short stacking energy: -81.938
Base-Backbone interact. energy: -0.133
local terms energy: -90.528561
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -18.588
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: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -273.292084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.292084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.292084 (E_RNA)
where:
Base-Base interactions energy: -188.996
where: short stacking energy: -76.025
Base-Backbone interact. energy: -0.125
local terms energy: -84.170769
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -21.381
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: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -240.491657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.491657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.491657 (E_RNA)
where:
Base-Base interactions energy: -159.931
where: short stacking energy: -75.488
Base-Backbone interact. energy: -0.128
local terms energy: -80.432659
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -215.485404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.485404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.485404 (E_RNA)
where:
Base-Base interactions energy: -131.402
where: short stacking energy: -59.124
Base-Backbone interact. energy: -0.206
local terms energy: -83.878172
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -246.912229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.912229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.912229 (E_RNA)
where:
Base-Base interactions energy: -153.670
where: short stacking energy: -68.898
Base-Backbone interact. energy: -0.001
local terms energy: -93.241974
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -15.763
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: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -97.187070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.187070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.187070 (E_RNA)
where:
Base-Base interactions energy: -43.183
where: short stacking energy: -27.313
Base-Backbone interact. energy: -0.211
local terms energy: -53.793509
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -87.211199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.211199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.211199 (E_RNA)
where:
Base-Base interactions energy: -32.184
where: short stacking energy: -32.284
Base-Backbone interact. energy: 0.117
local terms energy: -55.144457
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -89.827314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.827314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.827314 (E_RNA)
where:
Base-Base interactions energy: -48.118
where: short stacking energy: -19.520
Base-Backbone interact. energy: -0.363
local terms energy: -41.346160
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: 1.188
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: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -283.942265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.942265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.942265 (E_RNA)
where:
Base-Base interactions energy: -189.983
where: short stacking energy: -83.548
Base-Backbone interact. energy: -0.111
local terms energy: -93.848364
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -12.481
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: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -290.483207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.483207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.483207 (E_RNA)
where:
Base-Base interactions energy: -194.153
where: short stacking energy: -81.631
Base-Backbone interact. energy: -0.020
local terms energy: -96.309809
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -25.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -281.710000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.710000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.710000 (E_RNA)
where:
Base-Base interactions energy: -192.570
where: short stacking energy: -83.484
Base-Backbone interact. energy: -0.224
local terms energy: -88.915496
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -263.924087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.924087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.924087 (E_RNA)
where:
Base-Base interactions energy: -180.227
where: short stacking energy: -70.357
Base-Backbone interact. energy: -0.002
local terms energy: -83.694361
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -245.994549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.994549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.994549 (E_RNA)
where:
Base-Base interactions energy: -164.807
where: short stacking energy: -69.788
Base-Backbone interact. energy: -0.166
local terms energy: -81.021551
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -263.105468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.105468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.105468 (E_RNA)
where:
Base-Base interactions energy: -172.011
where: short stacking energy: -80.410
Base-Backbone interact. energy: -0.790
local terms energy: -90.304332
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -21.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -213.971053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.971053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.971053 (E_RNA)
where:
Base-Base interactions energy: -143.578
where: short stacking energy: -56.720
Base-Backbone interact. energy: -0.368
local terms energy: -70.025098
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -14.007
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: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -101.730246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.730246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.730246 (E_RNA)
where:
Base-Base interactions energy: -48.526
where: short stacking energy: -40.492
Base-Backbone interact. energy: -0.164
local terms energy: -53.040275
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -6.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -94.109529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.109529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.109529 (E_RNA)
where:
Base-Base interactions energy: -39.336
where: short stacking energy: -31.911
Base-Backbone interact. energy: -0.082
local terms energy: -54.691191
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -93.069348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.069348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.069348 (E_RNA)
where:
Base-Base interactions energy: -46.677
where: short stacking energy: -43.355
Base-Backbone interact. energy: -0.156
local terms energy: -46.237005
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -295.439250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.439250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.439250 (E_RNA)
where:
Base-Base interactions energy: -200.438
where: short stacking energy: -84.956
Base-Backbone interact. energy: 2.039
local terms energy: -97.040059
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -24.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -286.450585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.450585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.450585 (E_RNA)
where:
Base-Base interactions energy: -187.389
where: short stacking energy: -90.692
Base-Backbone interact. energy: -0.166
local terms energy: -98.895667
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -16.335
tors. eta vs tors. theta energy: -28.014
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: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -281.922690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.922690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.922690 (E_RNA)
where:
Base-Base interactions energy: -201.403
where: short stacking energy: -83.528
Base-Backbone interact. energy: -0.026
local terms energy: -80.494336
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -19.217
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: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -285.861666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.861666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.861666 (E_RNA)
where:
Base-Base interactions energy: -198.127
where: short stacking energy: -77.303
Base-Backbone interact. energy: -0.245
local terms energy: -87.489057
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -13.469
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: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -271.928338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.928338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.928338 (E_RNA)
where:
Base-Base interactions energy: -185.434
where: short stacking energy: -75.230
Base-Backbone interact. energy: -0.860
local terms energy: -85.634484
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -11.799
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: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -233.686042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.686042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.686042 (E_RNA)
where:
Base-Base interactions energy: -151.598
where: short stacking energy: -64.519
Base-Backbone interact. energy: -1.962
local terms energy: -80.125964
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -212.981594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.981594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.981594 (E_RNA)
where:
Base-Base interactions energy: -135.245
where: short stacking energy: -69.262
Base-Backbone interact. energy: -0.257
local terms energy: -77.480074
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -11.641
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: 8, replica: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -98.044055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.044055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.044055 (E_RNA)
where:
Base-Base interactions energy: -32.781
where: short stacking energy: -15.578
Base-Backbone interact. energy: -0.684
local terms energy: -64.579531
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: 0.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -121.586930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.586930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.586930 (E_RNA)
where:
Base-Base interactions energy: -52.110
where: short stacking energy: -34.317
Base-Backbone interact. energy: -0.114
local terms energy: -69.363027
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -9.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -98.181221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.181221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.181221 (E_RNA)
where:
Base-Base interactions energy: -44.314
where: short stacking energy: -39.402
Base-Backbone interact. energy: 2.106
local terms energy: -55.973208
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -302.132505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.132505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.132505 (E_RNA)
where:
Base-Base interactions energy: -211.462
where: short stacking energy: -82.497
Base-Backbone interact. energy: -0.055
local terms energy: -90.615518
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -283.074378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.074378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.074378 (E_RNA)
where:
Base-Base interactions energy: -192.303
where: short stacking energy: -75.509
Base-Backbone interact. energy: -0.625
local terms energy: -90.145823
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -24.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -272.465815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.465815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.465815 (E_RNA)
where:
Base-Base interactions energy: -180.556
where: short stacking energy: -80.324
Base-Backbone interact. energy: 0.080
local terms energy: -91.989791
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -23.169
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: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -272.790862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.790862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.790862 (E_RNA)
where:
Base-Base interactions energy: -181.276
where: short stacking energy: -85.638
Base-Backbone interact. energy: -0.067
local terms energy: -91.447870
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -273.902945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.902945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.902945 (E_RNA)
where:
Base-Base interactions energy: -185.753
where: short stacking energy: -73.414
Base-Backbone interact. energy: -0.053
local terms energy: -88.097636
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -17.061
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: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -257.949391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.949391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.949391 (E_RNA)
where:
Base-Base interactions energy: -174.067
where: short stacking energy: -78.389
Base-Backbone interact. energy: -0.434
local terms energy: -83.448678
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -227.010858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.010858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.010858 (E_RNA)
where:
Base-Base interactions energy: -139.094
where: short stacking energy: -64.897
Base-Backbone interact. energy: -0.734
local terms energy: -87.182104
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -119.097109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.097109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.097109 (E_RNA)
where:
Base-Base interactions energy: -50.907
where: short stacking energy: -27.103
Base-Backbone interact. energy: 0.229
local terms energy: -68.419072
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -107.544311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.544311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.544311 (E_RNA)
where:
Base-Base interactions energy: -50.064
where: short stacking energy: -27.447
Base-Backbone interact. energy: 0.037
local terms energy: -57.517785
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -90.990788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.990788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.990788 (E_RNA)
where:
Base-Base interactions energy: -39.955
where: short stacking energy: -14.272
Base-Backbone interact. energy: 0.385
local terms energy: -51.420786
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -2.300
tors. eta vs tors. theta energy: 1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -294.220133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.220133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.220133 (E_RNA)
where:
Base-Base interactions energy: -198.024
where: short stacking energy: -79.274
Base-Backbone interact. energy: -0.172
local terms energy: -96.023941
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -20.603
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -26.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -280.341651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.341651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.341651 (E_RNA)
where:
Base-Base interactions energy: -182.247
where: short stacking energy: -87.485
Base-Backbone interact. energy: -0.482
local terms energy: -97.612472
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -26.051
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: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -283.020637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.020637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.020637 (E_RNA)
where:
Base-Base interactions energy: -187.148
where: short stacking energy: -84.251
Base-Backbone interact. energy: -0.588
local terms energy: -95.285026
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -283.075722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.075722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.075722 (E_RNA)
where:
Base-Base interactions energy: -191.218
where: short stacking energy: -82.424
Base-Backbone interact. energy: -0.041
local terms energy: -91.816626
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -25.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -243.912640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.912640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.912640 (E_RNA)
where:
Base-Base interactions energy: -160.421
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.295
local terms energy: -83.196411
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -10.344
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: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -254.089299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.089299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.089299 (E_RNA)
where:
Base-Base interactions energy: -166.190
where: short stacking energy: -79.266
Base-Backbone interact. energy: -0.559
local terms energy: -87.340067
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -242.492821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.492821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.492821 (E_RNA)
where:
Base-Base interactions energy: -160.310
where: short stacking energy: -74.470
Base-Backbone interact. energy: -1.030
local terms energy: -81.152938
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -24.707
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: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -112.890457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.890457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.890457 (E_RNA)
where:
Base-Base interactions energy: -54.469
where: short stacking energy: -41.326
Base-Backbone interact. energy: -0.538
local terms energy: -57.882678
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -86.338260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.338260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.338260 (E_RNA)
where:
Base-Base interactions energy: -27.604
where: short stacking energy: -17.702
Base-Backbone interact. energy: -0.023
local terms energy: -58.711181
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -85.374717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.374717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.374717 (E_RNA)
where:
Base-Base interactions energy: -24.074
where: short stacking energy: -24.074
Base-Backbone interact. energy: -0.520
local terms energy: -60.780708
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: 0.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -304.534396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.534396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.534396 (E_RNA)
where:
Base-Base interactions energy: -206.893
where: short stacking energy: -81.860
Base-Backbone interact. energy: -0.142
local terms energy: -97.499583
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -24.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -283.870069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.870069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.870069 (E_RNA)
where:
Base-Base interactions energy: -191.862
where: short stacking energy: -85.978
Base-Backbone interact. energy: 0.209
local terms energy: -92.216689
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -23.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -289.073404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.073404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.073404 (E_RNA)
where:
Base-Base interactions energy: -196.115
where: short stacking energy: -84.533
Base-Backbone interact. energy: -0.021
local terms energy: -92.938339
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -25.476
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: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -269.649300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.649300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.649300 (E_RNA)
where:
Base-Base interactions energy: -179.002
where: short stacking energy: -87.041
Base-Backbone interact. energy: -0.097
local terms energy: -90.549437
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -26.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -235.183699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.183699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.183699 (E_RNA)
where:
Base-Base interactions energy: -150.190
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.792
local terms energy: -84.202207
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -265.493386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.493386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.493386 (E_RNA)
where:
Base-Base interactions energy: -180.050
where: short stacking energy: -70.202
Base-Backbone interact. energy: -0.061
local terms energy: -85.382439
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -24.431
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: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -229.135152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.135152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.135152 (E_RNA)
where:
Base-Base interactions energy: -161.299
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.947
local terms energy: -66.890039
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -16.009
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: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -105.452288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.452288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.452288 (E_RNA)
where:
Base-Base interactions energy: -42.042
where: short stacking energy: -41.957
Base-Backbone interact. energy: -0.180
local terms energy: -63.230401
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -87.853395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.853395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.853395 (E_RNA)
where:
Base-Base interactions energy: -32.248
where: short stacking energy: -24.916
Base-Backbone interact. energy: 0.162
local terms energy: -55.767840
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: 2.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -93.563319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.563319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.563319 (E_RNA)
where:
Base-Base interactions energy: -32.185
where: short stacking energy: -32.185
Base-Backbone interact. energy: -0.203
local terms energy: -61.176023
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -8.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -295.882527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.882527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.882527 (E_RNA)
where:
Base-Base interactions energy: -196.749
where: short stacking energy: -82.270
Base-Backbone interact. energy: -0.006
local terms energy: -99.127450
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -14.644
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: 2, replica: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -288.103784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.103784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.103784 (E_RNA)
where:
Base-Base interactions energy: -201.284
where: short stacking energy: -81.990
Base-Backbone interact. energy: -0.091
local terms energy: -86.728810
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -285.671724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.671724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.671724 (E_RNA)
where:
Base-Base interactions energy: -196.314
where: short stacking energy: -81.685
Base-Backbone interact. energy: -0.694
local terms energy: -88.663511
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -11.461
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: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -276.110391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.110391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.110391 (E_RNA)
where:
Base-Base interactions energy: -183.039
where: short stacking energy: -81.051
Base-Backbone interact. energy: -0.001
local terms energy: -93.070434
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -27.432
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: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -249.262284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.262284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.262284 (E_RNA)
where:
Base-Base interactions energy: -168.008
where: short stacking energy: -76.998
Base-Backbone interact. energy: -0.808
local terms energy: -80.446557
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -237.541617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.541617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.541617 (E_RNA)
where:
Base-Base interactions energy: -163.192
where: short stacking energy: -73.143
Base-Backbone interact. energy: -0.058
local terms energy: -74.291618
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -210.394930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.394930 (E_RNA)
where:
Base-Base interactions energy: -135.126
where: short stacking energy: -59.707
Base-Backbone interact. energy: 0.412
local terms energy: -75.680377
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -104.193883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.193883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.193883 (E_RNA)
where:
Base-Base interactions energy: -37.726
where: short stacking energy: -26.353
Base-Backbone interact. energy: -0.828
local terms energy: -65.639969
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -104.003762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.003762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.003762 (E_RNA)
where:
Base-Base interactions energy: -45.404
where: short stacking energy: -29.450
Base-Backbone interact. energy: -0.006
local terms energy: -58.593635
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -88.862301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.862301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.862301 (E_RNA)
where:
Base-Base interactions energy: -27.811
where: short stacking energy: -25.503
Base-Backbone interact. energy: 0.603
local terms energy: -61.653874
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -7.960
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: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -299.158292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.158292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.158292 (E_RNA)
where:
Base-Base interactions energy: -204.682
where: short stacking energy: -89.179
Base-Backbone interact. energy: -0.001
local terms energy: -94.475315
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -10.237
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: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -288.289159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.289159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.289159 (E_RNA)
where:
Base-Base interactions energy: -196.497
where: short stacking energy: -87.662
Base-Backbone interact. energy: -0.364
local terms energy: -91.428527
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -12.761
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: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -279.971164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.971164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.971164 (E_RNA)
where:
Base-Base interactions energy: -186.446
where: short stacking energy: -76.892
Base-Backbone interact. energy: 0.241
local terms energy: -93.765961
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -11.750
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: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -271.424847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.424847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.424847 (E_RNA)
where:
Base-Base interactions energy: -180.511
where: short stacking energy: -70.916
Base-Backbone interact. energy: -0.052
local terms energy: -90.861649
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -241.224958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.224958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.224958 (E_RNA)
where:
Base-Base interactions energy: -155.602
where: short stacking energy: -77.198
Base-Backbone interact. energy: -0.095
local terms energy: -85.527967
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -14.834
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: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -239.104322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.104322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.104322 (E_RNA)
where:
Base-Base interactions energy: -157.050
where: short stacking energy: -74.084
Base-Backbone interact. energy: -0.129
local terms energy: -81.925336
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -190.006299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.006299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.006299 (E_RNA)
where:
Base-Base interactions energy: -121.091
where: short stacking energy: -45.944
Base-Backbone interact. energy: 1.190
local terms energy: -70.105936
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -101.317046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.317046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.317046 (E_RNA)
where:
Base-Base interactions energy: -34.463
where: short stacking energy: -22.649
Base-Backbone interact. energy: -0.130
local terms energy: -66.723291
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -92.303311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.303311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.303311 (E_RNA)
where:
Base-Base interactions energy: -36.983
where: short stacking energy: -34.746
Base-Backbone interact. energy: -0.486
local terms energy: -54.834786
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: 1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -88.545015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.545015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.545015 (E_RNA)
where:
Base-Base interactions energy: -31.045
where: short stacking energy: -30.038
Base-Backbone interact. energy: -0.281
local terms energy: -57.218928
where:
bonds (distance) C4'-P energy: -7.484
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -300.237034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.237034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.237034 (E_RNA)
where:
Base-Base interactions energy: -200.197
where: short stacking energy: -87.311
Base-Backbone interact. energy: -0.070
local terms energy: -99.969291
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -26.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -283.697818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.697818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.697818 (E_RNA)
where:
Base-Base interactions energy: -194.096
where: short stacking energy: -80.836
Base-Backbone interact. energy: -0.826
local terms energy: -88.776435
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -12.233
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: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -278.078623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.078623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.078623 (E_RNA)
where:
Base-Base interactions energy: -183.975
where: short stacking energy: -83.472
Base-Backbone interact. energy: -0.015
local terms energy: -94.088896
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -13.271
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: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -280.140757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.140757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.140757 (E_RNA)
where:
Base-Base interactions energy: -193.267
where: short stacking energy: -80.591
Base-Backbone interact. energy: -0.008
local terms energy: -86.865405
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -249.013151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.013151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.013151 (E_RNA)
where:
Base-Base interactions energy: -165.537
where: short stacking energy: -80.157
Base-Backbone interact. energy: 2.266
local terms energy: -85.742349
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -25.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -230.377729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.377729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.377729 (E_RNA)
where:
Base-Base interactions energy: -152.665
where: short stacking energy: -62.795
Base-Backbone interact. energy: -0.124
local terms energy: -77.588832
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -204.141076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.141076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.141076 (E_RNA)
where:
Base-Base interactions energy: -135.341
where: short stacking energy: -57.840
Base-Backbone interact. energy: 2.626
local terms energy: -71.425493
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -12.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -100.293425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.293425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.293425 (E_RNA)
where:
Base-Base interactions energy: -41.206
where: short stacking energy: -32.983
Base-Backbone interact. energy: -0.268
local terms energy: -58.818519
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -94.259620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.259620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.259620 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -28.230
Base-Backbone interact. energy: -0.166
local terms energy: -65.863595
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -88.968965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.968965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.968965 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -32.477
Base-Backbone interact. energy: -0.043
local terms energy: -55.573174
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -0.237
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: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -301.040829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.040829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.040829 (E_RNA)
where:
Base-Base interactions energy: -200.767
where: short stacking energy: -90.138
Base-Backbone interact. energy: -0.096
local terms energy: -100.177761
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -28.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -294.622893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.622893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.622893 (E_RNA)
where:
Base-Base interactions energy: -195.613
where: short stacking energy: -83.016
Base-Backbone interact. energy: -0.942
local terms energy: -98.068381
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -18.410
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -25.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -284.751940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.751940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.751940 (E_RNA)
where:
Base-Base interactions energy: -195.274
where: short stacking energy: -85.737
Base-Backbone interact. energy: -0.252
local terms energy: -89.225746
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -252.356140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.356140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.356140 (E_RNA)
where:
Base-Base interactions energy: -157.810
where: short stacking energy: -72.855
Base-Backbone interact. energy: -1.552
local terms energy: -92.994425
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -15.723
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -258.015252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.015252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.015252 (E_RNA)
where:
Base-Base interactions energy: -164.336
where: short stacking energy: -75.280
Base-Backbone interact. energy: -0.414
local terms energy: -93.264756
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -22.696
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: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -239.488628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.488628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.488628 (E_RNA)
where:
Base-Base interactions energy: -154.609
where: short stacking energy: -73.030
Base-Backbone interact. energy: -0.212
local terms energy: -84.668361
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -205.237335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.237335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.237335 (E_RNA)
where:
Base-Base interactions energy: -131.906
where: short stacking energy: -66.288
Base-Backbone interact. energy: -0.002
local terms energy: -73.328559
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -95.736286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.736286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.736286 (E_RNA)
where:
Base-Base interactions energy: -34.426
where: short stacking energy: -29.601
Base-Backbone interact. energy: -0.239
local terms energy: -61.071752
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -97.260183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.260183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.260183 (E_RNA)
where:
Base-Base interactions energy: -40.518
where: short stacking energy: -38.262
Base-Backbone interact. energy: -0.547
local terms energy: -56.195823
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -2.512
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: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -92.845771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.845771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.845771 (E_RNA)
where:
Base-Base interactions energy: -31.235
where: short stacking energy: -32.019
Base-Backbone interact. energy: 0.981
local terms energy: -62.591462
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -294.512056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.512056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.512056 (E_RNA)
where:
Base-Base interactions energy: -199.953
where: short stacking energy: -91.859
Base-Backbone interact. energy: -0.110
local terms energy: -94.448951
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -285.473023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.473023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.473023 (E_RNA)
where:
Base-Base interactions energy: -194.847
where: short stacking energy: -75.602
Base-Backbone interact. energy: -0.020
local terms energy: -90.606200
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -22.644
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: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -279.184432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.184432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.184432 (E_RNA)
where:
Base-Base interactions energy: -187.083
where: short stacking energy: -88.582
Base-Backbone interact. energy: -0.032
local terms energy: -92.069532
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -26.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -253.646710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.646710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.646710 (E_RNA)
where:
Base-Base interactions energy: -177.475
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.177
local terms energy: -75.994517
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -269.763118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.763118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.763118 (E_RNA)
where:
Base-Base interactions energy: -180.526
where: short stacking energy: -78.009
Base-Backbone interact. energy: -0.594
local terms energy: -88.643059
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -24.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -250.983183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.983183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.983183 (E_RNA)
where:
Base-Base interactions energy: -168.750
where: short stacking energy: -72.125
Base-Backbone interact. energy: -0.105
local terms energy: -82.127640
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -7.410
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: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -105.857768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.857768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.857768 (E_RNA)
where:
Base-Base interactions energy: -41.426
where: short stacking energy: -40.672
Base-Backbone interact. energy: 1.425
local terms energy: -65.856394
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -9.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -200.893927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.893927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.893927 (E_RNA)
where:
Base-Base interactions energy: -123.258
where: short stacking energy: -51.953
Base-Backbone interact. energy: -0.021
local terms energy: -77.614156
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -96.867577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.867577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.867577 (E_RNA)
where:
Base-Base interactions energy: -33.014
where: short stacking energy: -32.846
Base-Backbone interact. energy: -0.264
local terms energy: -63.590353
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -94.118008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.118008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.118008 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.098
local terms energy: -64.580988
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -9.184
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: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -292.821327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.821327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.821327 (E_RNA)
where:
Base-Base interactions energy: -200.351
where: short stacking energy: -85.769
Base-Backbone interact. energy: -0.024
local terms energy: -92.445679
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -287.399951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.399951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.399951 (E_RNA)
where:
Base-Base interactions energy: -199.236
where: short stacking energy: -82.240
Base-Backbone interact. energy: 0.874
local terms energy: -89.038000
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -284.553364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.553364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.553364 (E_RNA)
where:
Base-Base interactions energy: -201.601
where: short stacking energy: -80.217
Base-Backbone interact. energy: -0.116
local terms energy: -82.836277
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -274.676088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.676088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.676088 (E_RNA)
where:
Base-Base interactions energy: -180.217
where: short stacking energy: -87.819
Base-Backbone interact. energy: -0.269
local terms energy: -94.190008
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -25.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -269.398083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.398083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.398083 (E_RNA)
where:
Base-Base interactions energy: -183.650
where: short stacking energy: -73.969
Base-Backbone interact. energy: -0.129
local terms energy: -85.619141
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -22.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -247.893362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.893362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.893362 (E_RNA)
where:
Base-Base interactions energy: -150.871
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.053
local terms energy: -96.968654
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -24.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -105.897527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.897527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.897527 (E_RNA)
where:
Base-Base interactions energy: -43.652
where: short stacking energy: -39.176
Base-Backbone interact. energy: -0.681
local terms energy: -61.564610
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -204.852001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.852001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.852001 (E_RNA)
where:
Base-Base interactions energy: -138.747
where: short stacking energy: -50.150
Base-Backbone interact. energy: -0.109
local terms energy: -65.995905
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -14.574
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: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -88.088273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.088273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.088273 (E_RNA)
where:
Base-Base interactions energy: -32.317
where: short stacking energy: -32.317
Base-Backbone interact. energy: -0.307
local terms energy: -55.464751
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: 2.893
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: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -96.951690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.951690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.951690 (E_RNA)
where:
Base-Base interactions energy: -49.827
where: short stacking energy: -30.806
Base-Backbone interact. energy: 1.200
local terms energy: -48.323826
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: 1.533
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: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -298.896981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.896981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.896981 (E_RNA)
where:
Base-Base interactions energy: -200.442
where: short stacking energy: -84.902
Base-Backbone interact. energy: -0.031
local terms energy: -98.424078
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -291.798207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.798207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.798207 (E_RNA)
where:
Base-Base interactions energy: -199.960
where: short stacking energy: -80.744
Base-Backbone interact. energy: -0.009
local terms energy: -91.829008
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -16.451
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: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -286.563773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.563773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.563773 (E_RNA)
where:
Base-Base interactions energy: -196.683
where: short stacking energy: -84.039
Base-Backbone interact. energy: -0.340
local terms energy: -89.540776
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -281.648891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.648891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.648891 (E_RNA)
where:
Base-Base interactions energy: -184.355
where: short stacking energy: -75.683
Base-Backbone interact. energy: -0.437
local terms energy: -96.856718
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -24.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -270.802291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.802291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.802291 (E_RNA)
where:
Base-Base interactions energy: -180.874
where: short stacking energy: -73.854
Base-Backbone interact. energy: -0.214
local terms energy: -89.713780
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -240.681928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.681928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.681928 (E_RNA)
where:
Base-Base interactions energy: -155.400
where: short stacking energy: -66.604
Base-Backbone interact. energy: -0.057
local terms energy: -85.224515
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -13.866
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: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -216.529505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.529505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.529505 (E_RNA)
where:
Base-Base interactions energy: -147.962
where: short stacking energy: -69.415
Base-Backbone interact. energy: 2.803
local terms energy: -71.370497
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -105.487174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.487174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.487174 (E_RNA)
where:
Base-Base interactions energy: -46.690
where: short stacking energy: -36.069
Base-Backbone interact. energy: -0.242
local terms energy: -58.555536
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -100.563542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.563542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.563542 (E_RNA)
where:
Base-Base interactions energy: -44.054
where: short stacking energy: -36.010
Base-Backbone interact. energy: -1.032
local terms energy: -55.477715
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -94.474053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.474053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.474053 (E_RNA)
where:
Base-Base interactions energy: -38.171
where: short stacking energy: -35.559
Base-Backbone interact. energy: 2.740
local terms energy: -59.043658
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: 2.132
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -292.033165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.033165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.033165 (E_RNA)
where:
Base-Base interactions energy: -194.344
where: short stacking energy: -84.549
Base-Backbone interact. energy: -0.056
local terms energy: -97.632897
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -27.159
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: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -288.043082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.043082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.043082 (E_RNA)
where:
Base-Base interactions energy: -192.992
where: short stacking energy: -82.754
Base-Backbone interact. energy: -0.663
local terms energy: -94.388263
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -22.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -288.728433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.728433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.728433 (E_RNA)
where:
Base-Base interactions energy: -199.936
where: short stacking energy: -85.706
Base-Backbone interact. energy: -0.154
local terms energy: -88.638182
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -22.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -269.633045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.633045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.633045 (E_RNA)
where:
Base-Base interactions energy: -190.992
where: short stacking energy: -70.883
Base-Backbone interact. energy: -0.093
local terms energy: -78.547607
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -18.890
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: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -269.476271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.476271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.476271 (E_RNA)
where:
Base-Base interactions energy: -183.343
where: short stacking energy: -82.987
Base-Backbone interact. energy: -0.402
local terms energy: -85.731085
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -247.311881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.311881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.311881 (E_RNA)
where:
Base-Base interactions energy: -164.649
where: short stacking energy: -71.035
Base-Backbone interact. energy: -0.855
local terms energy: -81.808028
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -221.303895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.303895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.303895 (E_RNA)
where:
Base-Base interactions energy: -142.287
where: short stacking energy: -69.254
Base-Backbone interact. energy: -0.789
local terms energy: -78.228129
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -16.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -100.438830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.438830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.438830 (E_RNA)
where:
Base-Base interactions energy: -36.761
where: short stacking energy: -36.761
Base-Backbone interact. energy: -0.139
local terms energy: -63.538840
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -10.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -96.090049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.090049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.090049 (E_RNA)
where:
Base-Base interactions energy: -23.227
where: short stacking energy: -19.818
Base-Backbone interact. energy: -0.209
local terms energy: -72.654077
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -83.800965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.800965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.800965 (E_RNA)
where:
Base-Base interactions energy: -32.711
where: short stacking energy: -12.203
Base-Backbone interact. energy: -1.063
local terms energy: -50.026565
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: 8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -292.375221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.375221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.375221 (E_RNA)
where:
Base-Base interactions energy: -191.905
where: short stacking energy: -89.995
Base-Backbone interact. energy: -0.008
local terms energy: -100.461623
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -29.810
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: 10
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -289.744357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.744357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.744357 (E_RNA)
where:
Base-Base interactions energy: -184.304
where: short stacking energy: -87.210
Base-Backbone interact. energy: -0.072
local terms energy: -105.368094
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -28.919
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: 254
Temperature: 1.000000
Total energy: -281.964752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.964752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.964752 (E_RNA)
where:
Base-Base interactions energy: -197.546
where: short stacking energy: -81.599
Base-Backbone interact. energy: -0.095
local terms energy: -84.323594
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -22.905
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: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -266.404830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.404830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.404830 (E_RNA)
where:
Base-Base interactions energy: -183.321
where: short stacking energy: -79.978
Base-Backbone interact. energy: -0.087
local terms energy: -82.997005
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -24.976
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: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -252.675766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.675766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.675766 (E_RNA)
where:
Base-Base interactions energy: -168.832
where: short stacking energy: -70.386
Base-Backbone interact. energy: -0.199
local terms energy: -83.644711
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -250.336710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.336710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.336710 (E_RNA)
where:
Base-Base interactions energy: -166.525
where: short stacking energy: -72.534
Base-Backbone interact. energy: -0.015
local terms energy: -83.796357
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -24.649
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: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -218.992890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.992890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.992890 (E_RNA)
where:
Base-Base interactions energy: -141.042
where: short stacking energy: -59.880
Base-Backbone interact. energy: -0.470
local terms energy: -77.481146
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -7.163
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: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -102.344178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.344178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.344178 (E_RNA)
where:
Base-Base interactions energy: -47.915
where: short stacking energy: -47.915
Base-Backbone interact. energy: -0.321
local terms energy: -54.107775
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -1.448
tors. eta vs tors. theta energy: -2.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -90.084153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.084153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.084153 (E_RNA)
where:
Base-Base interactions energy: -31.476
where: short stacking energy: -31.476
Base-Backbone interact. energy: -0.207
local terms energy: -58.401589
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -4.242
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: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -103.685466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.685466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.685466 (E_RNA)
where:
Base-Base interactions energy: -54.861
where: short stacking energy: -26.951
Base-Backbone interact. energy: -0.312
local terms energy: -48.512557
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -0.953
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -287.621830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.621830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.621830 (E_RNA)
where:
Base-Base interactions energy: -196.336
where: short stacking energy: -87.110
Base-Backbone interact. energy: -0.029
local terms energy: -91.256917
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -285.457660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.457660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.457660 (E_RNA)
where:
Base-Base interactions energy: -190.272
where: short stacking energy: -85.338
Base-Backbone interact. energy: -0.080
local terms energy: -95.105127
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -23.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -271.558722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.558722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.558722 (E_RNA)
where:
Base-Base interactions energy: -185.387
where: short stacking energy: -84.207
Base-Backbone interact. energy: -0.074
local terms energy: -86.097770
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -25.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -268.528982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.528982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.528982 (E_RNA)
where:
Base-Base interactions energy: -175.954
where: short stacking energy: -78.555
Base-Backbone interact. energy: -0.095
local terms energy: -92.480121
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -25.943
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: 255
Temperature: 1.100000
Total energy: -238.923906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.923906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.923906 (E_RNA)
where:
Base-Base interactions energy: -151.307
where: short stacking energy: -64.648
Base-Backbone interact. energy: -0.194
local terms energy: -87.423644
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -241.076038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.076038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.076038 (E_RNA)
where:
Base-Base interactions energy: -166.516
where: short stacking energy: -72.982
Base-Backbone interact. energy: -0.140
local terms energy: -74.420606
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -20.255
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: 255
Temperature: 1.200000
Total energy: -212.482535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.482535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.482535 (E_RNA)
where:
Base-Base interactions energy: -135.552
where: short stacking energy: -63.467
Base-Backbone interact. energy: -1.568
local terms energy: -75.363203
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -98.908111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.908111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.908111 (E_RNA)
where:
Base-Base interactions energy: -38.155
where: short stacking energy: -28.764
Base-Backbone interact. energy: -0.127
local terms energy: -60.626455
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: -0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -91.190685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.190685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.190685 (E_RNA)
where:
Base-Base interactions energy: -36.790
where: short stacking energy: -26.533
Base-Backbone interact. energy: 0.282
local terms energy: -54.682882
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -93.853292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.853292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.853292 (E_RNA)
where:
Base-Base interactions energy: -28.810
where: short stacking energy: -27.409
Base-Backbone interact. energy: -0.224
local terms energy: -64.819747
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -293.094680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.094680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.094680 (E_RNA)
where:
Base-Base interactions energy: -188.432
where: short stacking energy: -84.396
Base-Backbone interact. energy: -0.036
local terms energy: -104.626611
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -283.583767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.583767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.583767 (E_RNA)
where:
Base-Base interactions energy: -189.946
where: short stacking energy: -82.495
Base-Backbone interact. energy: 0.814
local terms energy: -94.452010
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -25.414
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: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -273.980182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.980182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.980182 (E_RNA)
where:
Base-Base interactions energy: -180.830
where: short stacking energy: -75.351
Base-Backbone interact. energy: -0.406
local terms energy: -92.744295
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -272.264090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.264090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.264090 (E_RNA)
where:
Base-Base interactions energy: -184.515
where: short stacking energy: -85.730
Base-Backbone interact. energy: -0.024
local terms energy: -87.725605
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -13.523
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: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -251.687389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.687389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.687389 (E_RNA)
where:
Base-Base interactions energy: -165.664
where: short stacking energy: -74.613
Base-Backbone interact. energy: -0.167
local terms energy: -85.855753
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -246.034483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.034483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.034483 (E_RNA)
where:
Base-Base interactions energy: -165.240
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.203
local terms energy: -80.591343
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -203.872835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.872835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.872835 (E_RNA)
where:
Base-Base interactions energy: -132.226
where: short stacking energy: -57.813
Base-Backbone interact. energy: -0.385
local terms energy: -71.262162
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -15.651
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: 8, replica: 2
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -113.499165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.499165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.499165 (E_RNA)
where:
Base-Base interactions energy: -38.548
where: short stacking energy: -35.056
Base-Backbone interact. energy: 0.870
local terms energy: -75.820900
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -9.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -84.245492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.245492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.245492 (E_RNA)
where:
Base-Base interactions energy: -25.059
where: short stacking energy: -25.059
Base-Backbone interact. energy: -0.224
local terms energy: -58.962400
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -105.150497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.150497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.150497 (E_RNA)
where:
Base-Base interactions energy: -42.633
where: short stacking energy: -20.989
Base-Backbone interact. energy: -0.363
local terms energy: -62.154324
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -1.417
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: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -294.561085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.561085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.561085 (E_RNA)
where:
Base-Base interactions energy: -187.696
where: short stacking energy: -90.800
Base-Backbone interact. energy: -0.003
local terms energy: -106.862190
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -29.356
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: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -278.131656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.131656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.131656 (E_RNA)
where:
Base-Base interactions energy: -189.655
where: short stacking energy: -91.715
Base-Backbone interact. energy: -0.008
local terms energy: -88.468150
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -27.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -283.156407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.156407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.156407 (E_RNA)
where:
Base-Base interactions energy: -190.856
where: short stacking energy: -84.694
Base-Backbone interact. energy: -0.017
local terms energy: -92.283544
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -24.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -278.483259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.483259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.483259 (E_RNA)
where:
Base-Base interactions energy: -189.511
where: short stacking energy: -80.737
Base-Backbone interact. energy: -0.118
local terms energy: -88.854344
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -252.472966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.472966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.472966 (E_RNA)
where:
Base-Base interactions energy: -165.347
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.422
local terms energy: -86.704359
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -14.013
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: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -253.594731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.594731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.594731 (E_RNA)
where:
Base-Base interactions energy: -167.105
where: short stacking energy: -71.077
Base-Backbone interact. energy: -0.162
local terms energy: -86.327035
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -17.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -202.101283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.101283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.101283 (E_RNA)
where:
Base-Base interactions energy: -127.751
where: short stacking energy: -57.558
Base-Backbone interact. energy: -0.721
local terms energy: -73.628996
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -14.398
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: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -88.761540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.761540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.761540 (E_RNA)
where:
Base-Base interactions energy: -33.508
where: short stacking energy: -33.508
Base-Backbone interact. energy: -0.409
local terms energy: -54.844894
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -93.687369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.687369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.687369 (E_RNA)
where:
Base-Base interactions energy: -38.610
where: short stacking energy: -35.968
Base-Backbone interact. energy: -0.209
local terms energy: -54.868762
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -5.943
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: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -86.701864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.701864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.701864 (E_RNA)
where:
Base-Base interactions energy: -29.111
where: short stacking energy: -29.111
Base-Backbone interact. energy: 1.594
local terms energy: -59.185536
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: 0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -296.459486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.459486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.459486 (E_RNA)
where:
Base-Base interactions energy: -191.796
where: short stacking energy: -91.945
Base-Backbone interact. energy: -0.015
local terms energy: -104.648895
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -28.424
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: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -272.227857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.227857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.227857 (E_RNA)
where:
Base-Base interactions energy: -190.746
where: short stacking energy: -79.593
Base-Backbone interact. energy: -0.656
local terms energy: -80.825778
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -21.711
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: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -282.667616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.667616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.667616 (E_RNA)
where:
Base-Base interactions energy: -188.726
where: short stacking energy: -84.688
Base-Backbone interact. energy: -0.049
local terms energy: -93.892093
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -25.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -269.910374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.910374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.910374 (E_RNA)
where:
Base-Base interactions energy: -181.770
where: short stacking energy: -83.355
Base-Backbone interact. energy: -0.461
local terms energy: -87.679254
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -260.144704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.144704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.144704 (E_RNA)
where:
Base-Base interactions energy: -171.764
where: short stacking energy: -74.878
Base-Backbone interact. energy: -0.063
local terms energy: -88.317906
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -247.127123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.127123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.127123 (E_RNA)
where:
Base-Base interactions energy: -162.171
where: short stacking energy: -63.857
Base-Backbone interact. energy: 0.562
local terms energy: -85.517487
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -18.069
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: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -198.095805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.095805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.095805 (E_RNA)
where:
Base-Base interactions energy: -118.090
where: short stacking energy: -55.765
Base-Backbone interact. energy: -0.427
local terms energy: -79.579025
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -133.166163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.166163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.166163 (E_RNA)
where:
Base-Base interactions energy: -61.839
where: short stacking energy: -52.374
Base-Backbone interact. energy: -0.072
local terms energy: -71.255193
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -3.557
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -89.501145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.501145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.501145 (E_RNA)
where:
Base-Base interactions energy: -37.235
where: short stacking energy: -22.085
Base-Backbone interact. energy: -0.385
local terms energy: -51.880928
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -2.068
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: 2
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -91.044913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.044913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.044913 (E_RNA)
where:
Base-Base interactions energy: -33.680
where: short stacking energy: -33.680
Base-Backbone interact. energy: -0.152
local terms energy: -57.212429
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -295.599500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.599500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.599500 (E_RNA)
where:
Base-Base interactions energy: -196.808
where: short stacking energy: -84.865
Base-Backbone interact. energy: -0.552
local terms energy: -98.239020
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -286.678858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.678858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.678858 (E_RNA)
where:
Base-Base interactions energy: -201.996
where: short stacking energy: -89.302
Base-Backbone interact. energy: -0.644
local terms energy: -84.038888
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -24.553
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: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -274.616605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.616605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.616605 (E_RNA)
where:
Base-Base interactions energy: -189.594
where: short stacking energy: -83.102
Base-Backbone interact. energy: -0.048
local terms energy: -84.974495
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -11.807
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: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -270.708526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.708526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.708526 (E_RNA)
where:
Base-Base interactions energy: -174.349
where: short stacking energy: -78.957
Base-Backbone interact. energy: -2.559
local terms energy: -93.800783
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -267.588766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.588766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.588766 (E_RNA)
where:
Base-Base interactions energy: -175.757
where: short stacking energy: -81.733
Base-Backbone interact. energy: -0.107
local terms energy: -91.725151
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -9.331
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: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -267.243152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.243152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.243152 (E_RNA)
where:
Base-Base interactions energy: -188.093
where: short stacking energy: -72.697
Base-Backbone interact. energy: 1.298
local terms energy: -80.447562
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -12.372
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: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -214.822983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.822983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.822983 (E_RNA)
where:
Base-Base interactions energy: -135.693
where: short stacking energy: -59.986
Base-Backbone interact. energy: 1.471
local terms energy: -80.601804
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -93.649198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.649198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.649198 (E_RNA)
where:
Base-Base interactions energy: -46.603
where: short stacking energy: -34.170
Base-Backbone interact. energy: -0.547
local terms energy: -46.499067
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -9.041
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -100.357908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.357908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.357908 (E_RNA)
where:
Base-Base interactions energy: -40.945
where: short stacking energy: -29.123
Base-Backbone interact. energy: -0.117
local terms energy: -59.295749
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -81.876875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.876875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.876875 (E_RNA)
where:
Base-Base interactions energy: -24.549
where: short stacking energy: -23.511
Base-Backbone interact. energy: 2.575
local terms energy: -59.902889
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: 1.250
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: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -301.572736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.572736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.572736 (E_RNA)
where:
Base-Base interactions energy: -205.217
where: short stacking energy: -84.226
Base-Backbone interact. energy: -0.020
local terms energy: -96.335829
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -15.555
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: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -288.163068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.163068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.163068 (E_RNA)
where:
Base-Base interactions energy: -196.772
where: short stacking energy: -77.682
Base-Backbone interact. energy: -0.493
local terms energy: -90.898266
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -22.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -283.085684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.085684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.085684 (E_RNA)
where:
Base-Base interactions energy: -190.695
where: short stacking energy: -83.299
Base-Backbone interact. energy: -0.001
local terms energy: -92.390360
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -26.205
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: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -275.734340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.734340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.734340 (E_RNA)
where:
Base-Base interactions energy: -184.070
where: short stacking energy: -75.226
Base-Backbone interact. energy: 1.237
local terms energy: -92.900762
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -11.975
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: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -275.721133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.721133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.721133 (E_RNA)
where:
Base-Base interactions energy: -186.135
where: short stacking energy: -84.575
Base-Backbone interact. energy: -0.009
local terms energy: -89.577037
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -12.123
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: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -263.877010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.877010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.877010 (E_RNA)
where:
Base-Base interactions energy: -186.782
where: short stacking energy: -79.365
Base-Backbone interact. energy: 0.356
local terms energy: -77.450677
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -205.619456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.619456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.619456 (E_RNA)
where:
Base-Base interactions energy: -121.955
where: short stacking energy: -51.571
Base-Backbone interact. energy: -0.087
local terms energy: -83.578126
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -97.095137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.095137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.095137 (E_RNA)
where:
Base-Base interactions energy: -39.492
where: short stacking energy: -30.991
Base-Backbone interact. energy: -0.793
local terms energy: -56.809915
where:
bonds (distance) C4'-P energy: -7.688
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -98.138126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.138126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.138126 (E_RNA)
where:
Base-Base interactions energy: -36.672
where: short stacking energy: -29.893
Base-Backbone interact. energy: -0.361
local terms energy: -61.105024
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -91.156423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.156423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.156423 (E_RNA)
where:
Base-Base interactions energy: -35.471
where: short stacking energy: -28.836
Base-Backbone interact. energy: -0.472
local terms energy: -55.213947
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -296.847239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.847239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.847239 (E_RNA)
where:
Base-Base interactions energy: -202.788
where: short stacking energy: -79.028
Base-Backbone interact. energy: 0.287
local terms energy: -94.346741
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -25.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -279.720437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.720437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.720437 (E_RNA)
where:
Base-Base interactions energy: -181.153
where: short stacking energy: -82.575
Base-Backbone interact. energy: -1.316
local terms energy: -97.251833
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -21.209
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -27.194
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: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -286.179201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.179201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.179201 (E_RNA)
where:
Base-Base interactions energy: -190.275
where: short stacking energy: -88.270
Base-Backbone interact. energy: -0.191
local terms energy: -95.713750
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -25.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -275.730174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.730174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.730174 (E_RNA)
where:
Base-Base interactions energy: -186.519
where: short stacking energy: -81.609
Base-Backbone interact. energy: -0.038
local terms energy: -89.172634
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -13.977
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: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -252.427785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.427785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.427785 (E_RNA)
where:
Base-Base interactions energy: -178.787
where: short stacking energy: -81.041
Base-Backbone interact. energy: -0.283
local terms energy: -73.357375
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -270.698434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.698434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.698434 (E_RNA)
where:
Base-Base interactions energy: -191.130
where: short stacking energy: -73.161
Base-Backbone interact. energy: -0.121
local terms energy: -79.446775
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -205.771756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.771756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.771756 (E_RNA)
where:
Base-Base interactions energy: -128.420
where: short stacking energy: -54.276
Base-Backbone interact. energy: -0.110
local terms energy: -77.241771
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -107.164869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.164869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.164869 (E_RNA)
where:
Base-Base interactions energy: -43.010
where: short stacking energy: -33.231
Base-Backbone interact. energy: -0.204
local terms energy: -63.950668
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -96.398354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.398354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.398354 (E_RNA)
where:
Base-Base interactions energy: -46.724
where: short stacking energy: -29.755
Base-Backbone interact. energy: 1.758
local terms energy: -51.432682
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: 6.953
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: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -81.574020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.574020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.574020 (E_RNA)
where:
Base-Base interactions energy: -25.638
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.460
local terms energy: -55.475434
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -293.729712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.729712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.729712 (E_RNA)
where:
Base-Base interactions energy: -193.387
where: short stacking energy: -93.834
Base-Backbone interact. energy: -0.001
local terms energy: -100.341104
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -283.727383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.727383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.727383 (E_RNA)
where:
Base-Base interactions energy: -186.889
where: short stacking energy: -84.503
Base-Backbone interact. energy: -0.012
local terms energy: -96.825960
where:
bonds (distance) C4'-P energy: -19.419
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -28.998
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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -282.928423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.928423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.928423 (E_RNA)
where:
Base-Base interactions energy: -194.097
where: short stacking energy: -84.437
Base-Backbone interact. energy: -0.225
local terms energy: -88.606451
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -12.301
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: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -274.298063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.298063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.298063 (E_RNA)
where:
Base-Base interactions energy: -187.399
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.534
local terms energy: -86.365555
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -11.151
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: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -272.452943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.452943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.452943 (E_RNA)
where:
Base-Base interactions energy: -176.423
where: short stacking energy: -77.706
Base-Backbone interact. energy: -0.032
local terms energy: -95.998734
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -23.779
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: 262
Temperature: 1.150000
Total energy: -229.923733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.923733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.923733 (E_RNA)
where:
Base-Base interactions energy: -151.967
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.184
local terms energy: -77.772660
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -14.858
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: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -97.972758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.972758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.972758 (E_RNA)
where:
Base-Base interactions energy: -36.303
where: short stacking energy: -31.160
Base-Backbone interact. energy: 0.257
local terms energy: -61.926788
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -166.944327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.944327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.944327 (E_RNA)
where:
Base-Base interactions energy: -97.776
where: short stacking energy: -44.558
Base-Backbone interact. energy: -0.320
local terms energy: -68.848051
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -96.498492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.498492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.498492 (E_RNA)
where:
Base-Base interactions energy: -37.347
where: short stacking energy: -25.319
Base-Backbone interact. energy: -0.148
local terms energy: -59.003020
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -2.168
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: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -82.990724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.990724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.990724 (E_RNA)
where:
Base-Base interactions energy: -28.727
where: short stacking energy: -24.928
Base-Backbone interact. energy: 1.403
local terms energy: -55.667416
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -292.899286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.899286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.899286 (E_RNA)
where:
Base-Base interactions energy: -200.658
where: short stacking energy: -89.290
Base-Backbone interact. energy: -0.161
local terms energy: -92.080243
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -15.560
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: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -297.419183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.419183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.419183 (E_RNA)
where:
Base-Base interactions energy: -205.151
where: short stacking energy: -83.040
Base-Backbone interact. energy: -0.001
local terms energy: -92.267258
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -15.249
tors. eta vs tors. theta energy: -24.978
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: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -278.266640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.266640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.266640 (E_RNA)
where:
Base-Base interactions energy: -189.904
where: short stacking energy: -78.119
Base-Backbone interact. energy: 0.103
local terms energy: -88.465807
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -15.036
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: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -280.412546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.412546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.412546 (E_RNA)
where:
Base-Base interactions energy: -195.623
where: short stacking energy: -78.225
Base-Backbone interact. energy: -0.114
local terms energy: -84.675327
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -272.508602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.508602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.508602 (E_RNA)
where:
Base-Base interactions energy: -187.313
where: short stacking energy: -84.034
Base-Backbone interact. energy: -0.294
local terms energy: -84.901107
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -26.644
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: 263
Temperature: 1.150000
Total energy: -258.346268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.346268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.346268 (E_RNA)
where:
Base-Base interactions energy: -174.978
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.124
local terms energy: -83.243847
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -14.394
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: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -102.213403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.213403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.213403 (E_RNA)
where:
Base-Base interactions energy: -32.408
where: short stacking energy: -24.425
Base-Backbone interact. energy: -0.240
local terms energy: -69.565617
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -150.124081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.124081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.124081 (E_RNA)
where:
Base-Base interactions energy: -81.426
where: short stacking energy: -38.401
Base-Backbone interact. energy: -0.141
local terms energy: -68.556947
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -121.706347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.706347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.706347 (E_RNA)
where:
Base-Base interactions energy: -79.227
where: short stacking energy: -44.627
Base-Backbone interact. energy: -0.237
local terms energy: -42.241717
where:
bonds (distance) C4'-P energy: -5.027
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -3.479
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: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -91.930629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.930629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.930629 (E_RNA)
where:
Base-Base interactions energy: -43.911
where: short stacking energy: -35.787
Base-Backbone interact. energy: 0.419
local terms energy: -48.438400
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -8.559
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: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -293.858080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.858080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.858080 (E_RNA)
where:
Base-Base interactions energy: -194.748
where: short stacking energy: -87.703
Base-Backbone interact. energy: -0.387
local terms energy: -98.723728
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -26.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -300.494069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.494069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.494069 (E_RNA)
where:
Base-Base interactions energy: -209.805
where: short stacking energy: -90.366
Base-Backbone interact. energy: 0.006
local terms energy: -90.694838
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -28.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -274.800214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.800214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.800214 (E_RNA)
where:
Base-Base interactions energy: -188.124
where: short stacking energy: -77.362
Base-Backbone interact. energy: -0.163
local terms energy: -86.513015
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -13.380
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: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -274.508881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.508881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.508881 (E_RNA)
where:
Base-Base interactions energy: -186.312
where: short stacking energy: -76.354
Base-Backbone interact. energy: -0.774
local terms energy: -87.422363
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -277.457422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.457422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.457422 (E_RNA)
where:
Base-Base interactions energy: -191.836
where: short stacking energy: -75.818
Base-Backbone interact. energy: -0.041
local terms energy: -85.580574
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -24.235
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: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -263.699442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.699442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.699442 (E_RNA)
where:
Base-Base interactions energy: -174.937
where: short stacking energy: -74.784
Base-Backbone interact. energy: -0.033
local terms energy: -88.729327
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -25.622
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: 264
Temperature: 1.200000
Total energy: -98.575820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.575820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.575820 (E_RNA)
where:
Base-Base interactions energy: -28.131
where: short stacking energy: -28.131
Base-Backbone interact. energy: -0.290
local terms energy: -70.154531
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -89.471903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.471903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.471903 (E_RNA)
where:
Base-Base interactions energy: -25.580
where: short stacking energy: -19.218
Base-Backbone interact. energy: -0.079
local terms energy: -63.813141
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -89.056264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.056264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.056264 (E_RNA)
where:
Base-Base interactions energy: -27.127
where: short stacking energy: -21.546
Base-Backbone interact. energy: -0.359
local terms energy: -61.570456
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: 3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -115.194042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.194042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.194042 (E_RNA)
where:
Base-Base interactions energy: -53.699
where: short stacking energy: -23.452
Base-Backbone interact. energy: -1.568
local terms energy: -59.927383
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -0.099
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: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -285.310932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.310932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.310932 (E_RNA)
where:
Base-Base interactions energy: -188.726
where: short stacking energy: -80.779
Base-Backbone interact. energy: -0.054
local terms energy: -96.531542
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -22.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -302.448994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.448994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.448994 (E_RNA)
where:
Base-Base interactions energy: -210.767
where: short stacking energy: -80.485
Base-Backbone interact. energy: -0.110
local terms energy: -91.572429
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -13.952
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: 265
Temperature: 1.000000
Total energy: -272.545964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.545964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.545964 (E_RNA)
where:
Base-Base interactions energy: -176.753
where: short stacking energy: -82.510
Base-Backbone interact. energy: -1.078
local terms energy: -94.714414
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -24.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -289.623643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.623643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.623643 (E_RNA)
where:
Base-Base interactions energy: -197.943
where: short stacking energy: -74.723
Base-Backbone interact. energy: -0.330
local terms energy: -91.350320
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -21.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -278.123359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.123359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.123359 (E_RNA)
where:
Base-Base interactions energy: -198.700
where: short stacking energy: -79.219
Base-Backbone interact. energy: -0.128
local terms energy: -79.295243
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -5.219
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: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -250.342041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.342041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.342041 (E_RNA)
where:
Base-Base interactions energy: -158.289
where: short stacking energy: -70.118
Base-Backbone interact. energy: -0.454
local terms energy: -91.599211
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -15.203
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: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -108.179079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.179079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.179079 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -37.197
Base-Backbone interact. energy: -0.095
local terms energy: -70.887010
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -92.197572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.197572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.197572 (E_RNA)
where:
Base-Base interactions energy: -31.425
where: short stacking energy: -31.271
Base-Backbone interact. energy: 0.257
local terms energy: -61.028720
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -12.948
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: 9, replica: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -102.406537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.406537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.406537 (E_RNA)
where:
Base-Base interactions energy: -34.805
where: short stacking energy: -34.805
Base-Backbone interact. energy: -0.157
local terms energy: -67.443821
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -90.405601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.405601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.405601 (E_RNA)
where:
Base-Base interactions energy: -30.971
where: short stacking energy: -30.971
Base-Backbone interact. energy: -0.090
local terms energy: -59.344193
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -10.291
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: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -296.643528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.643528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.643528 (E_RNA)
where:
Base-Base interactions energy: -200.065
where: short stacking energy: -87.452
Base-Backbone interact. energy: -0.067
local terms energy: -96.511570
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -26.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -285.503295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.503295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.503295 (E_RNA)
where:
Base-Base interactions energy: -187.717
where: short stacking energy: -87.585
Base-Backbone interact. energy: -0.001
local terms energy: -97.785301
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: -26.458
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: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -288.097777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.097777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.097777 (E_RNA)
where:
Base-Base interactions energy: -197.721
where: short stacking energy: -74.639
Base-Backbone interact. energy: -0.068
local terms energy: -90.309575
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -11.916
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: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -281.693152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.693152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.693152 (E_RNA)
where:
Base-Base interactions energy: -189.875
where: short stacking energy: -79.794
Base-Backbone interact. energy: -0.077
local terms energy: -91.741297
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -260.081552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.081552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.081552 (E_RNA)
where:
Base-Base interactions energy: -176.994
where: short stacking energy: -70.268
Base-Backbone interact. energy: 1.084
local terms energy: -84.171970
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -243.225162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.225162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.225162 (E_RNA)
where:
Base-Base interactions energy: -160.913
where: short stacking energy: -69.309
Base-Backbone interact. energy: -0.642
local terms energy: -81.670170
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -102.021905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.021905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.021905 (E_RNA)
where:
Base-Base interactions energy: -33.333
where: short stacking energy: -30.556
Base-Backbone interact. energy: -0.030
local terms energy: -68.658209
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -9.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -99.795427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.795427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.795427 (E_RNA)
where:
Base-Base interactions energy: -39.149
where: short stacking energy: -30.104
Base-Backbone interact. energy: -0.540
local terms energy: -60.106525
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -96.905523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.905523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.905523 (E_RNA)
where:
Base-Base interactions energy: -37.852
where: short stacking energy: -33.103
Base-Backbone interact. energy: 0.255
local terms energy: -59.309380
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -1.661
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: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -102.051086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.051086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.051086 (E_RNA)
where:
Base-Base interactions energy: -34.443
where: short stacking energy: -31.501
Base-Backbone interact. energy: -0.038
local terms energy: -67.570079
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -4.496
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: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -300.504349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.504349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.504349 (E_RNA)
where:
Base-Base interactions energy: -207.156
where: short stacking energy: -87.852
Base-Backbone interact. energy: -0.048
local terms energy: -93.300534
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -26.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -290.987582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.987582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.987582 (E_RNA)
where:
Base-Base interactions energy: -200.840
where: short stacking energy: -87.408
Base-Backbone interact. energy: -0.185
local terms energy: -89.961946
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -276.372664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.372664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.372664 (E_RNA)
where:
Base-Base interactions energy: -183.201
where: short stacking energy: -85.190
Base-Backbone interact. energy: 0.602
local terms energy: -93.774200
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -270.719936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.719936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.719936 (E_RNA)
where:
Base-Base interactions energy: -180.177
where: short stacking energy: -79.583
Base-Backbone interact. energy: 1.080
local terms energy: -91.623425
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -11.491
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: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -249.592711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.592711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.592711 (E_RNA)
where:
Base-Base interactions energy: -165.165
where: short stacking energy: -75.757
Base-Backbone interact. energy: -0.183
local terms energy: -84.244893
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -10.997
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: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -256.156652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.156652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.156652 (E_RNA)
where:
Base-Base interactions energy: -175.942
where: short stacking energy: -78.107
Base-Backbone interact. energy: -0.132
local terms energy: -80.082654
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -115.464503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.464503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.464503 (E_RNA)
where:
Base-Base interactions energy: -39.194
where: short stacking energy: -39.194
Base-Backbone interact. energy: -0.038
local terms energy: -76.232307
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -8.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -95.222084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.222084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.222084 (E_RNA)
where:
Base-Base interactions energy: -40.449
where: short stacking energy: -19.492
Base-Backbone interact. energy: -0.448
local terms energy: -54.325884
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: 1.122
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: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -184.006731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.006731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.006731 (E_RNA)
where:
Base-Base interactions energy: -114.214
where: short stacking energy: -46.773
Base-Backbone interact. energy: -0.214
local terms energy: -69.578834
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -11.999
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: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -91.596756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.596756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.596756 (E_RNA)
where:
Base-Base interactions energy: -26.541
where: short stacking energy: -22.147
Base-Backbone interact. energy: -0.892
local terms energy: -64.163770
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -292.928453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.928453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.928453 (E_RNA)
where:
Base-Base interactions energy: -199.275
where: short stacking energy: -85.470
Base-Backbone interact. energy: -0.007
local terms energy: -93.646888
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -22.260
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: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -284.916586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.916586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.916586 (E_RNA)
where:
Base-Base interactions energy: -187.866
where: short stacking energy: -83.337
Base-Backbone interact. energy: -0.627
local terms energy: -96.424233
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -17.132
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: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -276.049921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.049921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.049921 (E_RNA)
where:
Base-Base interactions energy: -189.684
where: short stacking energy: -78.190
Base-Backbone interact. energy: -0.061
local terms energy: -86.304699
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -22.842
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: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -282.619136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.619136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.619136 (E_RNA)
where:
Base-Base interactions energy: -192.769
where: short stacking energy: -74.986
Base-Backbone interact. energy: -0.096
local terms energy: -89.754973
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -20.532
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: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -249.843250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.843250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.843250 (E_RNA)
where:
Base-Base interactions energy: -168.157
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.032
local terms energy: -81.654287
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -262.913169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.913169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.913169 (E_RNA)
where:
Base-Base interactions energy: -187.543
where: short stacking energy: -69.537
Base-Backbone interact. energy: -0.141
local terms energy: -75.229681
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -108.333555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.333555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.333555 (E_RNA)
where:
Base-Base interactions energy: -38.865
where: short stacking energy: -36.524
Base-Backbone interact. energy: -0.199
local terms energy: -69.269781
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -106.697811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.697811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.697811 (E_RNA)
where:
Base-Base interactions energy: -43.418
where: short stacking energy: -42.733
Base-Backbone interact. energy: -0.987
local terms energy: -62.292948
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -9.620
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: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -203.420592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.420592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.420592 (E_RNA)
where:
Base-Base interactions energy: -127.773
where: short stacking energy: -60.440
Base-Backbone interact. energy: -0.284
local terms energy: -75.363722
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -89.905999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.905999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.905999 (E_RNA)
where:
Base-Base interactions energy: -29.567
where: short stacking energy: -29.567
Base-Backbone interact. energy: 0.018
local terms energy: -60.357666
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -294.812499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.812499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.812499 (E_RNA)
where:
Base-Base interactions energy: -200.816
where: short stacking energy: -83.250
Base-Backbone interact. energy: -0.090
local terms energy: -93.906441
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -13.934
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: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -278.560112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.560112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.560112 (E_RNA)
where:
Base-Base interactions energy: -189.494
where: short stacking energy: -77.388
Base-Backbone interact. energy: -0.081
local terms energy: -88.985229
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -286.514032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.514032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.514032 (E_RNA)
where:
Base-Base interactions energy: -200.574
where: short stacking energy: -80.881
Base-Backbone interact. energy: -0.017
local terms energy: -85.923012
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -249.973717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.973717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.973717 (E_RNA)
where:
Base-Base interactions energy: -158.553
where: short stacking energy: -69.425
Base-Backbone interact. energy: -0.017
local terms energy: -91.403053
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -22.732
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: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -281.513172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.513172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.513172 (E_RNA)
where:
Base-Base interactions energy: -196.848
where: short stacking energy: -81.036
Base-Backbone interact. energy: -0.069
local terms energy: -84.595952
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -25.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -258.617667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.617667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.617667 (E_RNA)
where:
Base-Base interactions energy: -172.953
where: short stacking energy: -79.626
Base-Backbone interact. energy: -0.029
local terms energy: -85.635981
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -112.791498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.791498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.791498 (E_RNA)
where:
Base-Base interactions energy: -50.561
where: short stacking energy: -42.865
Base-Backbone interact. energy: -0.155
local terms energy: -62.075364
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -209.275883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.275883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.275883 (E_RNA)
where:
Base-Base interactions energy: -125.980
where: short stacking energy: -58.632
Base-Backbone interact. energy: -1.062
local terms energy: -82.233687
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -20.888
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: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -96.699038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.699038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.699038 (E_RNA)
where:
Base-Base interactions energy: -37.985
where: short stacking energy: -28.958
Base-Backbone interact. energy: -0.194
local terms energy: -58.520120
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -20.856
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -90.673838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.673838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.673838 (E_RNA)
where:
Base-Base interactions energy: -30.948
where: short stacking energy: -30.000
Base-Backbone interact. energy: 0.545
local terms energy: -60.271306
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -289.931765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.931765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.931765 (E_RNA)
where:
Base-Base interactions energy: -200.311
where: short stacking energy: -77.619
Base-Backbone interact. energy: -0.068
local terms energy: -89.552792
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -280.095033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.095033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.095033 (E_RNA)
where:
Base-Base interactions energy: -193.494
where: short stacking energy: -81.927
Base-Backbone interact. energy: -0.308
local terms energy: -86.293042
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -280.646237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.646237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.646237 (E_RNA)
where:
Base-Base interactions energy: -194.917
where: short stacking energy: -87.618
Base-Backbone interact. energy: -0.024
local terms energy: -85.705623
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -14.250
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: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -249.563513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.563513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.563513 (E_RNA)
where:
Base-Base interactions energy: -172.977
where: short stacking energy: -63.269
Base-Backbone interact. energy: -0.168
local terms energy: -76.418320
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -271.455412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.455412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.455412 (E_RNA)
where:
Base-Base interactions energy: -175.121
where: short stacking energy: -82.856
Base-Backbone interact. energy: -0.023
local terms energy: -96.311390
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -267.404776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.404776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.404776 (E_RNA)
where:
Base-Base interactions energy: -180.106
where: short stacking energy: -88.701
Base-Backbone interact. energy: -0.028
local terms energy: -87.271256
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -25.815
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: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -217.913960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.913960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.913960 (E_RNA)
where:
Base-Base interactions energy: -144.744
where: short stacking energy: -62.680
Base-Backbone interact. energy: -0.016
local terms energy: -73.154113
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -127.684934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.684934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.684934 (E_RNA)
where:
Base-Base interactions energy: -75.050
where: short stacking energy: -32.619
Base-Backbone interact. energy: -0.107
local terms energy: -52.527569
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -4.716
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: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -96.544608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.544608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.544608 (E_RNA)
where:
Base-Base interactions energy: -34.352
where: short stacking energy: -33.902
Base-Backbone interact. energy: 1.794
local terms energy: -63.986432
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -91.775238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.775238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.775238 (E_RNA)
where:
Base-Base interactions energy: -36.498
where: short stacking energy: -33.551
Base-Backbone interact. energy: 0.871
local terms energy: -56.148525
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -4.032
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -292.263209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.263209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.263209 (E_RNA)
where:
Base-Base interactions energy: -209.450
where: short stacking energy: -85.316
Base-Backbone interact. energy: -0.049
local terms energy: -82.763878
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -14.180
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: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -296.726954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.726954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.726954 (E_RNA)
where:
Base-Base interactions energy: -202.860
where: short stacking energy: -84.530
Base-Backbone interact. energy: -0.083
local terms energy: -93.784524
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -26.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -281.838063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.838063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.838063 (E_RNA)
where:
Base-Base interactions energy: -195.168
where: short stacking energy: -82.855
Base-Backbone interact. energy: -0.146
local terms energy: -86.523429
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -22.222
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -22.448
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: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -273.667405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.667405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.667405 (E_RNA)
where:
Base-Base interactions energy: -182.667
where: short stacking energy: -71.299
Base-Backbone interact. energy: -0.099
local terms energy: -90.901062
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -19.672
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: 271
Temperature: 1.100000
Total energy: -227.090573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.090573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.090573 (E_RNA)
where:
Base-Base interactions energy: -138.205
where: short stacking energy: -61.926
Base-Backbone interact. energy: -0.290
local terms energy: -88.595699
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -13.331
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: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -253.381665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.381665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.381665 (E_RNA)
where:
Base-Base interactions energy: -163.162
where: short stacking energy: -73.964
Base-Backbone interact. energy: -1.120
local terms energy: -89.099136
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -19.978
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: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -212.259632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.259632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.259632 (E_RNA)
where:
Base-Base interactions energy: -132.172
where: short stacking energy: -55.488
Base-Backbone interact. energy: 0.443
local terms energy: -80.531109
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -11.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -101.857364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.857364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.857364 (E_RNA)
where:
Base-Base interactions energy: -30.242
where: short stacking energy: -30.090
Base-Backbone interact. energy: -0.279
local terms energy: -71.335906
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -92.212602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.212602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.212602 (E_RNA)
where:
Base-Base interactions energy: -37.056
where: short stacking energy: -25.612
Base-Backbone interact. energy: 0.376
local terms energy: -55.533024
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: 2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -143.886800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.886800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.886800 (E_RNA)
where:
Base-Base interactions energy: -86.039
where: short stacking energy: -33.749
Base-Backbone interact. energy: 0.347
local terms energy: -58.195237
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -7.559
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: 272
Temperature: 0.900000
Total energy: -299.583698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.583698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.583698 (E_RNA)
where:
Base-Base interactions energy: -202.027
where: short stacking energy: -83.112
Base-Backbone interact. energy: -0.076
local terms energy: -97.480415
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -26.658
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: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -293.490098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.490098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.490098 (E_RNA)
where:
Base-Base interactions energy: -207.464
where: short stacking energy: -84.440
Base-Backbone interact. energy: -0.026
local terms energy: -86.000464
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -255.797835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.797835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.797835 (E_RNA)
where:
Base-Base interactions energy: -179.126
where: short stacking energy: -70.432
Base-Backbone interact. energy: 1.518
local terms energy: -78.190542
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -279.421892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.421892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.421892 (E_RNA)
where:
Base-Base interactions energy: -188.177
where: short stacking energy: -84.809
Base-Backbone interact. energy: 0.464
local terms energy: -91.709143
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -16.134
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: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -265.398921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.398921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.398921 (E_RNA)
where:
Base-Base interactions energy: -179.715
where: short stacking energy: -81.532
Base-Backbone interact. energy: -0.479
local terms energy: -85.204496
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -12.131
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: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -251.011388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.011388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.011388 (E_RNA)
where:
Base-Base interactions energy: -171.827
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.272
local terms energy: -78.911787
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -220.831078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.831078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.831078 (E_RNA)
where:
Base-Base interactions energy: -143.668
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.373
local terms energy: -76.790987
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -19.123
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: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -90.156202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.156202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.156202 (E_RNA)
where:
Base-Base interactions energy: -31.763
where: short stacking energy: -27.534
Base-Backbone interact. energy: -0.055
local terms energy: -58.338158
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -152.370085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.370085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.370085 (E_RNA)
where:
Base-Base interactions energy: -89.060
where: short stacking energy: -36.545
Base-Backbone interact. energy: -0.315
local terms energy: -62.995017
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -91.194341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.194341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.194341 (E_RNA)
where:
Base-Base interactions energy: -37.470
where: short stacking energy: -32.640
Base-Backbone interact. energy: -0.638
local terms energy: -53.086406
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -302.162909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.162909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.162909 (E_RNA)
where:
Base-Base interactions energy: -212.194
where: short stacking energy: -94.906
Base-Backbone interact. energy: 0.625
local terms energy: -90.593709
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -24.707
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: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -287.759593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.759593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.759593 (E_RNA)
where:
Base-Base interactions energy: -200.919
where: short stacking energy: -80.768
Base-Backbone interact. energy: -0.716
local terms energy: -86.124863
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -24.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -282.882174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.882174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.882174 (E_RNA)
where:
Base-Base interactions energy: -191.657
where: short stacking energy: -79.488
Base-Backbone interact. energy: 0.993
local terms energy: -92.218689
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -21.059
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: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -274.338452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.338452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.338452 (E_RNA)
where:
Base-Base interactions energy: -193.217
where: short stacking energy: -80.697
Base-Backbone interact. energy: 0.433
local terms energy: -81.554399
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -22.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -271.655708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.655708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.655708 (E_RNA)
where:
Base-Base interactions energy: -180.718
where: short stacking energy: -82.380
Base-Backbone interact. energy: -0.042
local terms energy: -90.896307
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -28.555
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: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -226.705639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.705639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.705639 (E_RNA)
where:
Base-Base interactions energy: -162.291
where: short stacking energy: -63.891
Base-Backbone interact. energy: -0.727
local terms energy: -63.687126
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -2.265
tors. eta vs tors. theta energy: -20.088
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: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -229.554973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.554973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.554973 (E_RNA)
where:
Base-Base interactions energy: -151.100
where: short stacking energy: -58.765
Base-Backbone interact. energy: -0.272
local terms energy: -78.182935
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -156.617359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.617359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.617359 (E_RNA)
where:
Base-Base interactions energy: -80.481
where: short stacking energy: -41.312
Base-Backbone interact. energy: 0.354
local terms energy: -76.490495
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -11.228
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: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -87.159263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.159263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.159263 (E_RNA)
where:
Base-Base interactions energy: -22.932
where: short stacking energy: -22.932
Base-Backbone interact. energy: -0.171
local terms energy: -64.055631
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -1.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -92.283619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.283619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.283619 (E_RNA)
where:
Base-Base interactions energy: -40.115
where: short stacking energy: -31.434
Base-Backbone interact. energy: 2.999
local terms energy: -55.167778
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -303.271655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.271655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.271655 (E_RNA)
where:
Base-Base interactions energy: -207.912
where: short stacking energy: -86.573
Base-Backbone interact. energy: 0.048
local terms energy: -95.407139
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -24.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -287.258896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.258896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.258896 (E_RNA)
where:
Base-Base interactions energy: -197.627
where: short stacking energy: -81.499
Base-Backbone interact. energy: -0.116
local terms energy: -89.515979
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -23.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -285.467709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.467709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.467709 (E_RNA)
where:
Base-Base interactions energy: -200.985
where: short stacking energy: -83.185
Base-Backbone interact. energy: -0.209
local terms energy: -84.273570
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -20.823
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: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -276.740023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.740023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.740023 (E_RNA)
where:
Base-Base interactions energy: -188.091
where: short stacking energy: -81.759
Base-Backbone interact. energy: 0.449
local terms energy: -89.098726
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -260.951719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.951719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.951719 (E_RNA)
where:
Base-Base interactions energy: -171.174
where: short stacking energy: -83.708
Base-Backbone interact. energy: -0.052
local terms energy: -89.726391
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -245.788558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.788558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.788558 (E_RNA)
where:
Base-Base interactions energy: -166.212
where: short stacking energy: -67.345
Base-Backbone interact. energy: 0.833
local terms energy: -80.409474
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -237.074676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.074676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.074676 (E_RNA)
where:
Base-Base interactions energy: -157.151
where: short stacking energy: -70.529
Base-Backbone interact. energy: -0.147
local terms energy: -79.776841
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -168.016765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.016765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.016765 (E_RNA)
where:
Base-Base interactions energy: -98.384
where: short stacking energy: -48.525
Base-Backbone interact. energy: -0.065
local terms energy: -69.567846
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -88.242506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.242506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.242506 (E_RNA)
where:
Base-Base interactions energy: -29.764
where: short stacking energy: -29.764
Base-Backbone interact. energy: -0.770
local terms energy: -57.708333
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -100.903597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.903597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.903597 (E_RNA)
where:
Base-Base interactions energy: -41.151
where: short stacking energy: -33.730
Base-Backbone interact. energy: -0.598
local terms energy: -59.154648
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -290.365031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.365031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.365031 (E_RNA)
where:
Base-Base interactions energy: -195.131
where: short stacking energy: -77.935
Base-Backbone interact. energy: -0.850
local terms energy: -94.383513
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -295.087998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.087998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.087998 (E_RNA)
where:
Base-Base interactions energy: -202.302
where: short stacking energy: -91.020
Base-Backbone interact. energy: -0.071
local terms energy: -92.714972
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -26.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -284.782364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.782364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.782364 (E_RNA)
where:
Base-Base interactions energy: -203.985
where: short stacking energy: -85.439
Base-Backbone interact. energy: -0.062
local terms energy: -80.735670
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -23.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -276.576115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.576115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.576115 (E_RNA)
where:
Base-Base interactions energy: -183.283
where: short stacking energy: -86.135
Base-Backbone interact. energy: 0.118
local terms energy: -93.411434
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -14.879
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: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -276.123976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.123976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.123976 (E_RNA)
where:
Base-Base interactions energy: -186.920
where: short stacking energy: -80.521
Base-Backbone interact. energy: -0.249
local terms energy: -88.955100
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -251.069697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.069697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.069697 (E_RNA)
where:
Base-Base interactions energy: -177.562
where: short stacking energy: -76.164
Base-Backbone interact. energy: -0.102
local terms energy: -73.405631
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -14.044
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: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -231.926237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.926237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.926237 (E_RNA)
where:
Base-Base interactions energy: -152.431
where: short stacking energy: -67.800
Base-Backbone interact. energy: -0.203
local terms energy: -79.292389
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -98.482659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.482659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.482659 (E_RNA)
where:
Base-Base interactions energy: -38.029
where: short stacking energy: -32.306
Base-Backbone interact. energy: -0.266
local terms energy: -60.187312
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -3.871
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: 275
Temperature: 1.300000
Total energy: -192.486792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.486792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.486792 (E_RNA)
where:
Base-Base interactions energy: -120.723
where: short stacking energy: -57.262
Base-Backbone interact. energy: -0.336
local terms energy: -71.427522
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -93.516228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.516228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.516228 (E_RNA)
where:
Base-Base interactions energy: -27.360
where: short stacking energy: -25.111
Base-Backbone interact. energy: -0.547
local terms energy: -65.609475
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -13.018
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: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -299.790874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.790874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.790874 (E_RNA)
where:
Base-Base interactions energy: -206.828
where: short stacking energy: -87.217
Base-Backbone interact. energy: -0.105
local terms energy: -92.857238
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -9.196
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: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -285.516950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.516950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.516950 (E_RNA)
where:
Base-Base interactions energy: -190.913
where: short stacking energy: -83.281
Base-Backbone interact. energy: -0.800
local terms energy: -93.804371
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -23.858
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: 3, replica: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -281.191106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.191106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.191106 (E_RNA)
where:
Base-Base interactions energy: -192.013
where: short stacking energy: -78.581
Base-Backbone interact. energy: -0.501
local terms energy: -88.676943
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -25.425
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: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -285.040618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.040618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.040618 (E_RNA)
where:
Base-Base interactions energy: -190.510
where: short stacking energy: -72.088
Base-Backbone interact. energy: -0.029
local terms energy: -94.501105
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -23.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -268.138116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.138116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.138116 (E_RNA)
where:
Base-Base interactions energy: -186.240
where: short stacking energy: -75.465
Base-Backbone interact. energy: -0.796
local terms energy: -81.101245
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -259.460364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.460364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.460364 (E_RNA)
where:
Base-Base interactions energy: -167.377
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.167
local terms energy: -91.915824
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -25.740
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: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -194.635622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.635622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.635622 (E_RNA)
where:
Base-Base interactions energy: -129.886
where: short stacking energy: -56.771
Base-Backbone interact. energy: -0.032
local terms energy: -64.718118
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -101.420091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.420091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.420091 (E_RNA)
where:
Base-Base interactions energy: -45.914
where: short stacking energy: -41.770
Base-Backbone interact. energy: -0.248
local terms energy: -55.258015
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -4.109
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: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -197.422395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.422395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.422395 (E_RNA)
where:
Base-Base interactions energy: -127.988
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.565
local terms energy: -68.870002
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -12.259
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: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -90.688572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.688572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.688572 (E_RNA)
where:
Base-Base interactions energy: -37.097
where: short stacking energy: -31.073
Base-Backbone interact. energy: -0.900
local terms energy: -52.691627
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: 0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -297.312851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.312851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.312851 (E_RNA)
where:
Base-Base interactions energy: -202.427
where: short stacking energy: -87.488
Base-Backbone interact. energy: -0.058
local terms energy: -94.828100
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -15.577
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: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -289.483320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.483320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.483320 (E_RNA)
where:
Base-Base interactions energy: -197.255
where: short stacking energy: -83.611
Base-Backbone interact. energy: -0.235
local terms energy: -91.994075
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -24.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -275.439883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.439883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.439883 (E_RNA)
where:
Base-Base interactions energy: -185.234
where: short stacking energy: -79.674
Base-Backbone interact. energy: -0.020
local terms energy: -90.186639
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -25.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -284.191930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.191930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.191930 (E_RNA)
where:
Base-Base interactions energy: -204.127
where: short stacking energy: -80.222
Base-Backbone interact. energy: -0.003
local terms energy: -80.062351
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -10.871
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: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -270.500413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.500413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.500413 (E_RNA)
where:
Base-Base interactions energy: -188.062
where: short stacking energy: -84.190
Base-Backbone interact. energy: -0.029
local terms energy: -82.409569
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -25.931
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: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -243.300192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.300192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.300192 (E_RNA)
where:
Base-Base interactions energy: -157.939
where: short stacking energy: -67.209
Base-Backbone interact. energy: -0.415
local terms energy: -84.945443
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -21.832
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: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -171.186961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.186961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.186961 (E_RNA)
where:
Base-Base interactions energy: -113.851
where: short stacking energy: -47.547
Base-Backbone interact. energy: 1.663
local terms energy: -58.998021
where:
bonds (distance) C4'-P energy: -7.216
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -218.846876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.846876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.846876 (E_RNA)
where:
Base-Base interactions energy: -144.653
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.354
local terms energy: -73.839878
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -8.828
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: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -90.861519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.861519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.861519 (E_RNA)
where:
Base-Base interactions energy: -32.776
where: short stacking energy: -32.505
Base-Backbone interact. energy: -0.324
local terms energy: -57.761913
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -10.165
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: 10, replica: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -82.104341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.104341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.104341 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -27.370
Base-Backbone interact. energy: -0.103
local terms energy: -51.242966
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: 0.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -296.464822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.464822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.464822 (E_RNA)
where:
Base-Base interactions energy: -205.486
where: short stacking energy: -84.124
Base-Backbone interact. energy: -0.272
local terms energy: -90.706221
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -26.928
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: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -285.486327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.486327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.486327 (E_RNA)
where:
Base-Base interactions energy: -190.445
where: short stacking energy: -82.662
Base-Backbone interact. energy: -0.001
local terms energy: -95.041144
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -26.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -290.658288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.658288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.658288 (E_RNA)
where:
Base-Base interactions energy: -197.594
where: short stacking energy: -77.241
Base-Backbone interact. energy: -0.101
local terms energy: -92.962959
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -276.196588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.196588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.196588 (E_RNA)
where:
Base-Base interactions energy: -182.562
where: short stacking energy: -83.639
Base-Backbone interact. energy: -0.006
local terms energy: -93.627719
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -270.810365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.810365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.810365 (E_RNA)
where:
Base-Base interactions energy: -177.687
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.284
local terms energy: -92.838949
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -250.555934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.555934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.555934 (E_RNA)
where:
Base-Base interactions energy: -159.606
where: short stacking energy: -79.113
Base-Backbone interact. energy: -0.044
local terms energy: -90.905920
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -210.678472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.678472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.678472 (E_RNA)
where:
Base-Base interactions energy: -136.643
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.001
local terms energy: -74.034762
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -189.192758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.192758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.192758 (E_RNA)
where:
Base-Base interactions energy: -109.353
where: short stacking energy: -38.310
Base-Backbone interact. energy: -0.544
local terms energy: -79.295948
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -15.058
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: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -104.086460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.086460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.086460 (E_RNA)
where:
Base-Base interactions energy: -34.042
where: short stacking energy: -34.042
Base-Backbone interact. energy: -0.241
local terms energy: -69.803278
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -96.136618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.136618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.136618 (E_RNA)
where:
Base-Base interactions energy: -40.981
where: short stacking energy: -26.593
Base-Backbone interact. energy: -0.332
local terms energy: -54.824049
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -7.954
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: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -299.216462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.216462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.216462 (E_RNA)
where:
Base-Base interactions energy: -207.170
where: short stacking energy: -80.701
Base-Backbone interact. energy: -0.006
local terms energy: -92.040827
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -15.376
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: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -290.187545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.187545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.187545 (E_RNA)
where:
Base-Base interactions energy: -201.495
where: short stacking energy: -85.290
Base-Backbone interact. energy: -0.081
local terms energy: -88.612028
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -25.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -273.599514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.599514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.599514 (E_RNA)
where:
Base-Base interactions energy: -182.482
where: short stacking energy: -78.020
Base-Backbone interact. energy: 0.256
local terms energy: -91.373556
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -23.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -263.564920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.564920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.564920 (E_RNA)
where:
Base-Base interactions energy: -169.533
where: short stacking energy: -76.398
Base-Backbone interact. energy: -0.034
local terms energy: -93.997783
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -14.833
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: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -265.484262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.484262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.484262 (E_RNA)
where:
Base-Base interactions energy: -171.557
where: short stacking energy: -81.084
Base-Backbone interact. energy: -0.171
local terms energy: -93.756520
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -23.411
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -24.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -223.175799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.175799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.175799 (E_RNA)
where:
Base-Base interactions energy: -146.108
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.130
local terms energy: -76.937765
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -16.370
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: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -244.797770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.797770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.797770 (E_RNA)
where:
Base-Base interactions energy: -161.618
where: short stacking energy: -69.063
Base-Backbone interact. energy: -0.170
local terms energy: -83.009649
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -12.546
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: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -194.719171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.719171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.719171 (E_RNA)
where:
Base-Base interactions energy: -132.200
where: short stacking energy: -47.450
Base-Backbone interact. energy: -0.296
local terms energy: -62.223536
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -6.752
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -11.909
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: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -92.597589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.597589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.597589 (E_RNA)
where:
Base-Base interactions energy: -35.287
where: short stacking energy: -24.584
Base-Backbone interact. energy: -0.159
local terms energy: -57.151620
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -85.357195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.357195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.357195 (E_RNA)
where:
Base-Base interactions energy: -30.001
where: short stacking energy: -29.345
Base-Backbone interact. energy: 1.028
local terms energy: -56.383275
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: 2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -307.824800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.824800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.824800 (E_RNA)
where:
Base-Base interactions energy: -211.104
where: short stacking energy: -88.419
Base-Backbone interact. energy: -0.057
local terms energy: -96.663222
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -26.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -292.131918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.131918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.131918 (E_RNA)
where:
Base-Base interactions energy: -201.925
where: short stacking energy: -83.997
Base-Backbone interact. energy: 0.609
local terms energy: -90.815513
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -13.018
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: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -297.019933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.019933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.019933 (E_RNA)
where:
Base-Base interactions energy: -199.720
where: short stacking energy: -86.140
Base-Backbone interact. energy: -0.088
local terms energy: -97.211332
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -26.947
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: 280
Temperature: 1.050000
Total energy: -270.855636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.855636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.855636 (E_RNA)
where:
Base-Base interactions energy: -177.997
where: short stacking energy: -72.439
Base-Backbone interact. energy: -0.106
local terms energy: -92.753015
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -21.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -217.273926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.273926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.273926 (E_RNA)
where:
Base-Base interactions energy: -139.522
where: short stacking energy: -61.882
Base-Backbone interact. energy: 0.306
local terms energy: -78.058055
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -269.723873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.723873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.723873 (E_RNA)
where:
Base-Base interactions energy: -182.399
where: short stacking energy: -83.022
Base-Backbone interact. energy: 0.045
local terms energy: -87.370093
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -21.062
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -24.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -250.303744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.303744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.303744 (E_RNA)
where:
Base-Base interactions energy: -162.424
where: short stacking energy: -76.327
Base-Backbone interact. energy: -0.236
local terms energy: -87.644055
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -13.613
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: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -201.049388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.049388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.049388 (E_RNA)
where:
Base-Base interactions energy: -125.298
where: short stacking energy: -56.431
Base-Backbone interact. energy: -0.616
local terms energy: -75.135045
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -10.659
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: 5
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -92.346840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.346840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.346840 (E_RNA)
where:
Base-Base interactions energy: -41.309
where: short stacking energy: -20.916
Base-Backbone interact. energy: -0.430
local terms energy: -50.608676
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: 1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -88.961892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.961892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.961892 (E_RNA)
where:
Base-Base interactions energy: -33.346
where: short stacking energy: -31.545
Base-Backbone interact. energy: -0.237
local terms energy: -55.378349
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -1.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -297.404220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.404220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.404220 (E_RNA)
where:
Base-Base interactions energy: -205.781
where: short stacking energy: -80.019
Base-Backbone interact. energy: -0.086
local terms energy: -91.537087
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -26.507
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: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -294.504848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.504848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.504848 (E_RNA)
where:
Base-Base interactions energy: -201.552
where: short stacking energy: -82.489
Base-Backbone interact. energy: -0.072
local terms energy: -92.881074
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -26.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -286.058559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.058559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.058559 (E_RNA)
where:
Base-Base interactions energy: -192.103
where: short stacking energy: -88.549
Base-Backbone interact. energy: -0.116
local terms energy: -93.839686
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -22.376
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: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -274.980579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.980579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.980579 (E_RNA)
where:
Base-Base interactions energy: -178.318
where: short stacking energy: -83.232
Base-Backbone interact. energy: -0.612
local terms energy: -96.050584
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -213.597814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.597814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.597814 (E_RNA)
where:
Base-Base interactions energy: -140.233
where: short stacking energy: -60.697
Base-Backbone interact. energy: -0.046
local terms energy: -73.319372
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -13.072
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: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -244.076794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.076794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.076794 (E_RNA)
where:
Base-Base interactions energy: -159.117
where: short stacking energy: -64.895
Base-Backbone interact. energy: -0.294
local terms energy: -84.665824
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -17.703
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: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -250.972126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.972126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.972126 (E_RNA)
where:
Base-Base interactions energy: -161.637
where: short stacking energy: -71.520
Base-Backbone interact. energy: -0.128
local terms energy: -89.207353
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -18.682
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: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -114.538021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.538021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.538021 (E_RNA)
where:
Base-Base interactions energy: -57.799
where: short stacking energy: -31.369
Base-Backbone interact. energy: -0.240
local terms energy: -56.498241
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -9.197
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: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -184.745753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.745753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.745753 (E_RNA)
where:
Base-Base interactions energy: -113.866
where: short stacking energy: -37.220
Base-Backbone interact. energy: -0.231
local terms energy: -70.648879
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -86.241576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.241576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.241576 (E_RNA)
where:
Base-Base interactions energy: -27.984
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.126
local terms energy: -58.131330
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: 0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -283.997540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.997540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.997540 (E_RNA)
where:
Base-Base interactions energy: -197.874
where: short stacking energy: -83.062
Base-Backbone interact. energy: -0.321
local terms energy: -85.802290
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -11.676
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: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -294.969411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.969411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.969411 (E_RNA)
where:
Base-Base interactions energy: -192.663
where: short stacking energy: -87.148
Base-Backbone interact. energy: -0.098
local terms energy: -102.208595
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -28.038
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: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -281.890359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.890359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.890359 (E_RNA)
where:
Base-Base interactions energy: -192.944
where: short stacking energy: -88.009
Base-Backbone interact. energy: -0.011
local terms energy: -88.934723
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -288.531445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.531445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.531445 (E_RNA)
where:
Base-Base interactions energy: -203.225
where: short stacking energy: -85.036
Base-Backbone interact. energy: -0.087
local terms energy: -85.219952
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -24.696
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: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -259.800645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.800645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.800645 (E_RNA)
where:
Base-Base interactions energy: -173.016
where: short stacking energy: -77.190
Base-Backbone interact. energy: -0.760
local terms energy: -86.025398
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -23.923
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: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -215.782637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.782637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.782637 (E_RNA)
where:
Base-Base interactions energy: -141.236
where: short stacking energy: -57.672
Base-Backbone interact. energy: -0.194
local terms energy: -74.351975
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -12.790
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: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -229.066900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.066900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.066900 (E_RNA)
where:
Base-Base interactions energy: -150.360
where: short stacking energy: -70.603
Base-Backbone interact. energy: -0.092
local terms energy: -78.614471
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -20.483
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: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -111.926680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.926680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.926680 (E_RNA)
where:
Base-Base interactions energy: -61.455
where: short stacking energy: -35.408
Base-Backbone interact. energy: -0.175
local terms energy: -50.296440
where:
bonds (distance) C4'-P energy: -6.474
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: 0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -80.141774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.141774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.141774 (E_RNA)
where:
Base-Base interactions energy: -27.733
where: short stacking energy: -27.733
Base-Backbone interact. energy: -0.246
local terms energy: -52.162705
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: 1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -88.874234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.874234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.874234 (E_RNA)
where:
Base-Base interactions energy: -27.532
where: short stacking energy: -27.532
Base-Backbone interact. energy: 0.382
local terms energy: -61.724038
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: 2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -300.133311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.133311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.133311 (E_RNA)
where:
Base-Base interactions energy: -207.701
where: short stacking energy: -84.061
Base-Backbone interact. energy: -0.130
local terms energy: -92.301973
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -24.512
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: 283
Temperature: 0.950000
Total energy: -270.077339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.077339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.077339 (E_RNA)
where:
Base-Base interactions energy: -183.594
where: short stacking energy: -75.596
Base-Backbone interact. energy: -0.011
local terms energy: -86.472071
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -297.511786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.511786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.511786 (E_RNA)
where:
Base-Base interactions energy: -203.277
where: short stacking energy: -86.504
Base-Backbone interact. energy: -0.097
local terms energy: -94.137720
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -27.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -282.650445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.650445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.650445 (E_RNA)
where:
Base-Base interactions energy: -191.276
where: short stacking energy: -76.535
Base-Backbone interact. energy: -0.110
local terms energy: -91.263977
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -14.936
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: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -269.864635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.864635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.864635 (E_RNA)
where:
Base-Base interactions energy: -187.748
where: short stacking energy: -69.680
Base-Backbone interact. energy: 0.574
local terms energy: -82.690665
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -24.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -254.740753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.740753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.740753 (E_RNA)
where:
Base-Base interactions energy: -171.591
where: short stacking energy: -76.449
Base-Backbone interact. energy: -0.114
local terms energy: -83.035215
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -227.377918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.377918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.377918 (E_RNA)
where:
Base-Base interactions energy: -163.380
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.100
local terms energy: -63.897891
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -1.437
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: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -95.126903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.126903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.126903 (E_RNA)
where:
Base-Base interactions energy: -35.683
where: short stacking energy: -20.768
Base-Backbone interact. energy: -1.276
local terms energy: -58.168170
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: 1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -97.107846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.107846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.107846 (E_RNA)
where:
Base-Base interactions energy: -35.141
where: short stacking energy: -23.108
Base-Backbone interact. energy: -0.909
local terms energy: -61.058408
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.322
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: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -83.327900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.327900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.327900 (E_RNA)
where:
Base-Base interactions energy: -20.387
where: short stacking energy: -19.443
Base-Backbone interact. energy: -0.065
local terms energy: -62.875011
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -294.832980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.832980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.832980 (E_RNA)
where:
Base-Base interactions energy: -199.814
where: short stacking energy: -91.858
Base-Backbone interact. energy: 0.747
local terms energy: -95.766481
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -275.423380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.423380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.423380 (E_RNA)
where:
Base-Base interactions energy: -194.345
where: short stacking energy: -72.420
Base-Backbone interact. energy: 0.050
local terms energy: -81.128353
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -16.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -289.259160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.259160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.259160 (E_RNA)
where:
Base-Base interactions energy: -199.135
where: short stacking energy: -78.568
Base-Backbone interact. energy: -0.072
local terms energy: -90.052143
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -25.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -279.308115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.308115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.308115 (E_RNA)
where:
Base-Base interactions energy: -192.197
where: short stacking energy: -78.387
Base-Backbone interact. energy: 0.384
local terms energy: -87.495057
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -21.189
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -272.673604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.673604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.673604 (E_RNA)
where:
Base-Base interactions energy: -182.299
where: short stacking energy: -86.122
Base-Backbone interact. energy: -0.007
local terms energy: -90.367105
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -27.322
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: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -264.158355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.158355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.158355 (E_RNA)
where:
Base-Base interactions energy: -187.948
where: short stacking energy: -73.594
Base-Backbone interact. energy: 0.249
local terms energy: -76.459472
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -4.199
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: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -241.427681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.427681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.427681 (E_RNA)
where:
Base-Base interactions energy: -163.995
where: short stacking energy: -68.375
Base-Backbone interact. energy: -0.815
local terms energy: -76.617310
where:
bonds (distance) C4'-P energy: -8.061
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -92.734305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.734305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.734305 (E_RNA)
where:
Base-Base interactions energy: -42.691
where: short stacking energy: -25.759
Base-Backbone interact. energy: -0.280
local terms energy: -49.763374
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: 1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -105.095998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.095998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.095998 (E_RNA)
where:
Base-Base interactions energy: -50.488
where: short stacking energy: -29.302
Base-Backbone interact. energy: -0.273
local terms energy: -54.335360
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -4.975
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: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -97.391038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.391038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.391038 (E_RNA)
where:
Base-Base interactions energy: -42.602
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.301
local terms energy: -54.488662
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -292.840834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.840834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.840834 (E_RNA)
where:
Base-Base interactions energy: -202.181
where: short stacking energy: -88.323
Base-Backbone interact. energy: 0.058
local terms energy: -90.718226
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -22.582
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: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -292.388742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.388742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.388742 (E_RNA)
where:
Base-Base interactions energy: -203.929
where: short stacking energy: -82.820
Base-Backbone interact. energy: -0.065
local terms energy: -88.395045
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -11.488
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: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -276.425800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.425800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.425800 (E_RNA)
where:
Base-Base interactions energy: -196.917
where: short stacking energy: -80.792
Base-Backbone interact. energy: -0.201
local terms energy: -79.307977
where:
bonds (distance) C4'-P energy: -10.515
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -23.985
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: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -261.345196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.345196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.345196 (E_RNA)
where:
Base-Base interactions energy: -170.583
where: short stacking energy: -72.873
Base-Backbone interact. energy: 0.003
local terms energy: -90.765297
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -251.395657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.395657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.395657 (E_RNA)
where:
Base-Base interactions energy: -165.252
where: short stacking energy: -72.317
Base-Backbone interact. energy: -0.079
local terms energy: -86.064138
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -233.919441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.919441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.919441 (E_RNA)
where:
Base-Base interactions energy: -148.382
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.330
local terms energy: -85.207519
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -11.420
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: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -247.772734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.772734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.772734 (E_RNA)
where:
Base-Base interactions energy: -161.596
where: short stacking energy: -66.038
Base-Backbone interact. energy: 0.048
local terms energy: -86.224143
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -106.799580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.799580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.799580 (E_RNA)
where:
Base-Base interactions energy: -52.680
where: short stacking energy: -28.817
Base-Backbone interact. energy: -0.294
local terms energy: -53.825557
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -101.911083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.911083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.911083 (E_RNA)
where:
Base-Base interactions energy: -51.756
where: short stacking energy: -36.607
Base-Backbone interact. energy: -1.329
local terms energy: -48.825861
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: 1.912
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: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -85.316904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.316904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.316904 (E_RNA)
where:
Base-Base interactions energy: -28.823
where: short stacking energy: -28.823
Base-Backbone interact. energy: -0.167
local terms energy: -56.327337
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -5.197
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: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -291.783968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.783968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.783968 (E_RNA)
where:
Base-Base interactions energy: -194.512
where: short stacking energy: -85.638
Base-Backbone interact. energy: -0.033
local terms energy: -97.238820
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -24.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -285.887207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.887207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.887207 (E_RNA)
where:
Base-Base interactions energy: -194.333
where: short stacking energy: -86.537
Base-Backbone interact. energy: -0.098
local terms energy: -91.457034
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -293.019815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.019815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.019815 (E_RNA)
where:
Base-Base interactions energy: -197.340
where: short stacking energy: -80.623
Base-Backbone interact. energy: -0.284
local terms energy: -95.396503
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -17.736
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: 4, replica: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -264.608513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.608513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.608513 (E_RNA)
where:
Base-Base interactions energy: -174.755
where: short stacking energy: -76.364
Base-Backbone interact. energy: -0.140
local terms energy: -89.713977
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -13.772
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: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -223.613898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.613898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.613898 (E_RNA)
where:
Base-Base interactions energy: -145.119
where: short stacking energy: -59.546
Base-Backbone interact. energy: -0.048
local terms energy: -78.446860
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -243.457236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.457236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.457236 (E_RNA)
where:
Base-Base interactions energy: -157.349
where: short stacking energy: -66.076
Base-Backbone interact. energy: 0.094
local terms energy: -86.202517
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -262.672445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.672445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.672445 (E_RNA)
where:
Base-Base interactions energy: -179.825
where: short stacking energy: -79.565
Base-Backbone interact. energy: 0.809
local terms energy: -83.656721
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -100.222712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.222712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.222712 (E_RNA)
where:
Base-Base interactions energy: -39.939
where: short stacking energy: -30.620
Base-Backbone interact. energy: -0.116
local terms energy: -60.167257
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -8.886
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -104.525903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.525903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.525903 (E_RNA)
where:
Base-Base interactions energy: -46.866
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.141
local terms energy: -57.519354
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -99.915822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.915822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.915822 (E_RNA)
where:
Base-Base interactions energy: -38.293
where: short stacking energy: -36.981
Base-Backbone interact. energy: -0.169
local terms energy: -61.453951
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -301.590073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.590073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.590073 (E_RNA)
where:
Base-Base interactions energy: -204.153
where: short stacking energy: -85.211
Base-Backbone interact. energy: -0.095
local terms energy: -97.342390
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -25.167
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: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -287.581874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.581874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.581874 (E_RNA)
where:
Base-Base interactions energy: -188.853
where: short stacking energy: -83.867
Base-Backbone interact. energy: -0.008
local terms energy: -98.720201
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -27.571
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: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -285.133442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.133442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.133442 (E_RNA)
where:
Base-Base interactions energy: -195.286
where: short stacking energy: -87.704
Base-Backbone interact. energy: -0.704
local terms energy: -89.143904
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -12.842
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: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -268.188914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.188914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.188914 (E_RNA)
where:
Base-Base interactions energy: -178.971
where: short stacking energy: -85.771
Base-Backbone interact. energy: -0.101
local terms energy: -89.116485
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -25.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -228.629631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.629631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.629631 (E_RNA)
where:
Base-Base interactions energy: -157.274
where: short stacking energy: -66.806
Base-Backbone interact. energy: -0.064
local terms energy: -71.291953
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -4.295
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: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -259.754244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.754244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.754244 (E_RNA)
where:
Base-Base interactions energy: -180.052
where: short stacking energy: -81.292
Base-Backbone interact. energy: -0.144
local terms energy: -79.557745
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -23.666
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: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -237.319323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.319323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.319323 (E_RNA)
where:
Base-Base interactions energy: -164.082
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.739
local terms energy: -72.498380
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -12.655
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: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -105.213880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.213880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.213880 (E_RNA)
where:
Base-Base interactions energy: -42.713
where: short stacking energy: -32.209
Base-Backbone interact. energy: -0.191
local terms energy: -62.309867
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -4.121
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: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -85.310748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.310748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.310748 (E_RNA)
where:
Base-Base interactions energy: -27.389
where: short stacking energy: -21.071
Base-Backbone interact. energy: -0.229
local terms energy: -57.693035
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: 2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -91.577905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.577905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.577905 (E_RNA)
where:
Base-Base interactions energy: -27.665
where: short stacking energy: -26.358
Base-Backbone interact. energy: -0.238
local terms energy: -63.674544
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -301.310357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.310357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.310357 (E_RNA)
where:
Base-Base interactions energy: -202.537
where: short stacking energy: -80.646
Base-Backbone interact. energy: -0.067
local terms energy: -98.706419
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -26.526
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: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -289.989920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.989920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.989920 (E_RNA)
where:
Base-Base interactions energy: -203.110
where: short stacking energy: -84.454
Base-Backbone interact. energy: 1.044
local terms energy: -87.923997
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -17.188
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: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -284.028854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.028854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.028854 (E_RNA)
where:
Base-Base interactions energy: -190.628
where: short stacking energy: -82.481
Base-Backbone interact. energy: -0.007
local terms energy: -93.394236
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -23.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -272.196829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.196829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.196829 (E_RNA)
where:
Base-Base interactions energy: -182.764
where: short stacking energy: -68.382
Base-Backbone interact. energy: -0.144
local terms energy: -89.289674
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -257.121110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.121110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.121110 (E_RNA)
where:
Base-Base interactions energy: -171.400
where: short stacking energy: -71.607
Base-Backbone interact. energy: -0.190
local terms energy: -85.531140
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -239.764720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.764720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.764720 (E_RNA)
where:
Base-Base interactions energy: -170.362
where: short stacking energy: -72.156
Base-Backbone interact. energy: 2.224
local terms energy: -71.626594
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -15.351
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: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -225.831190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.831190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.831190 (E_RNA)
where:
Base-Base interactions energy: -148.444
where: short stacking energy: -68.263
Base-Backbone interact. energy: -0.075
local terms energy: -77.312143
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -123.945432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.945432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.945432 (E_RNA)
where:
Base-Base interactions energy: -67.053
where: short stacking energy: -39.498
Base-Backbone interact. energy: -0.687
local terms energy: -56.205613
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -0.722
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -100.714936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.714936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.714936 (E_RNA)
where:
Base-Base interactions energy: -36.250
where: short stacking energy: -33.122
Base-Backbone interact. energy: 0.448
local terms energy: -64.912655
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -6.732
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: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -84.387684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.387684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.387684 (E_RNA)
where:
Base-Base interactions energy: -32.999
where: short stacking energy: -27.514
Base-Backbone interact. energy: -0.037
local terms energy: -51.352158
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: 1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -293.933077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.933077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.933077 (E_RNA)
where:
Base-Base interactions energy: -200.071
where: short stacking energy: -74.794
Base-Backbone interact. energy: -0.017
local terms energy: -93.844919
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -14.540
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: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -285.863035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.863035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.863035 (E_RNA)
where:
Base-Base interactions energy: -203.968
where: short stacking energy: -82.509
Base-Backbone interact. energy: 0.455
local terms energy: -82.350156
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -285.800329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.800329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.800329 (E_RNA)
where:
Base-Base interactions energy: -194.385
where: short stacking energy: -81.885
Base-Backbone interact. energy: -0.123
local terms energy: -91.292710
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -11.355
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: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -283.486674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.486674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.486674 (E_RNA)
where:
Base-Base interactions energy: -192.831
where: short stacking energy: -78.923
Base-Backbone interact. energy: -0.098
local terms energy: -90.557869
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -25.443
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: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -257.080434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.080434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.080434 (E_RNA)
where:
Base-Base interactions energy: -176.546
where: short stacking energy: -77.493
Base-Backbone interact. energy: -0.085
local terms energy: -80.450013
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -8.874
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: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -217.809602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.809602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.809602 (E_RNA)
where:
Base-Base interactions energy: -143.842
where: short stacking energy: -63.584
Base-Backbone interact. energy: -0.323
local terms energy: -73.644636
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -221.080383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.080383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.080383 (E_RNA)
where:
Base-Base interactions energy: -142.065
where: short stacking energy: -66.046
Base-Backbone interact. energy: -0.001
local terms energy: -79.013804
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -111.200015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.200015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.200015 (E_RNA)
where:
Base-Base interactions energy: -42.921
where: short stacking energy: -39.957
Base-Backbone interact. energy: 0.049
local terms energy: -68.328574
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -96.500658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.500658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.500658 (E_RNA)
where:
Base-Base interactions energy: -40.074
where: short stacking energy: -29.958
Base-Backbone interact. energy: -1.250
local terms energy: -55.176774
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: 1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -84.501440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.501440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.501440 (E_RNA)
where:
Base-Base interactions energy: -34.936
where: short stacking energy: -17.458
Base-Backbone interact. energy: 0.128
local terms energy: -49.692676
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: 4.955
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: 290
Temperature: 0.900000
Total energy: -293.345940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.345940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.345940 (E_RNA)
where:
Base-Base interactions energy: -198.528
where: short stacking energy: -85.300
Base-Backbone interact. energy: -0.057
local terms energy: -94.760363
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -24.801
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: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -285.569591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.569591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.569591 (E_RNA)
where:
Base-Base interactions energy: -196.929
where: short stacking energy: -85.279
Base-Backbone interact. energy: -0.229
local terms energy: -88.411559
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -281.215612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.215612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.215612 (E_RNA)
where:
Base-Base interactions energy: -186.876
where: short stacking energy: -90.438
Base-Backbone interact. energy: -0.002
local terms energy: -94.337443
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -29.450
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: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -271.498939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.498939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.498939 (E_RNA)
where:
Base-Base interactions energy: -187.882
where: short stacking energy: -74.610
Base-Backbone interact. energy: -0.110
local terms energy: -83.506707
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -243.455901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.455901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.455901 (E_RNA)
where:
Base-Base interactions energy: -160.082
where: short stacking energy: -71.709
Base-Backbone interact. energy: -0.071
local terms energy: -83.302584
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -21.355
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: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -239.831110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.831110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.831110 (E_RNA)
where:
Base-Base interactions energy: -154.143
where: short stacking energy: -64.872
Base-Backbone interact. energy: -0.382
local terms energy: -85.305747
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -17.027
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: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -221.702682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.702682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.702682 (E_RNA)
where:
Base-Base interactions energy: -146.116
where: short stacking energy: -62.741
Base-Backbone interact. energy: -0.493
local terms energy: -75.093109
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -103.233301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.233301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.233301 (E_RNA)
where:
Base-Base interactions energy: -39.550
where: short stacking energy: -39.550
Base-Backbone interact. energy: -0.203
local terms energy: -63.480521
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -95.747857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.747857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.747857 (E_RNA)
where:
Base-Base interactions energy: -39.817
where: short stacking energy: -33.824
Base-Backbone interact. energy: -0.371
local terms energy: -55.560415
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.171
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: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -138.747743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.747743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.747743 (E_RNA)
where:
Base-Base interactions energy: -78.269
where: short stacking energy: -54.064
Base-Backbone interact. energy: 1.088
local terms energy: -61.566668
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: -13.917
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: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -286.778213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.778213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.778213 (E_RNA)
where:
Base-Base interactions energy: -193.943
where: short stacking energy: -95.391
Base-Backbone interact. energy: -0.038
local terms energy: -92.797402
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -277.243869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.243869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.243869 (E_RNA)
where:
Base-Base interactions energy: -188.877
where: short stacking energy: -82.594
Base-Backbone interact. energy: -0.012
local terms energy: -88.354604
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -23.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -282.636341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.636341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.636341 (E_RNA)
where:
Base-Base interactions energy: -192.089
where: short stacking energy: -84.971
Base-Backbone interact. energy: -0.010
local terms energy: -90.537418
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -24.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -275.820534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.820534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.820534 (E_RNA)
where:
Base-Base interactions energy: -183.749
where: short stacking energy: -78.237
Base-Backbone interact. energy: -0.296
local terms energy: -91.775914
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -25.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -243.073164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.073164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.073164 (E_RNA)
where:
Base-Base interactions energy: -167.606
where: short stacking energy: -66.331
Base-Backbone interact. energy: -0.137
local terms energy: -75.330713
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -254.958621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.958621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.958621 (E_RNA)
where:
Base-Base interactions energy: -170.241
where: short stacking energy: -67.444
Base-Backbone interact. energy: -0.155
local terms energy: -84.562931
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -14.621
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: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -208.992734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.992734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.992734 (E_RNA)
where:
Base-Base interactions energy: -135.724
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.151
local terms energy: -73.117302
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -110.999203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.999203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.999203 (E_RNA)
where:
Base-Base interactions energy: -52.189
where: short stacking energy: -35.809
Base-Backbone interact. energy: 0.555
local terms energy: -59.365850
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -85.133181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.133181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.133181 (E_RNA)
where:
Base-Base interactions energy: -27.802
where: short stacking energy: -28.902
Base-Backbone interact. energy: 0.694
local terms energy: -58.025484
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -103.579233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.579233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.579233 (E_RNA)
where:
Base-Base interactions energy: -43.826
where: short stacking energy: -29.761
Base-Backbone interact. energy: 0.014
local terms energy: -59.767287
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -299.423086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.423086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.423086 (E_RNA)
where:
Base-Base interactions energy: -205.108
where: short stacking energy: -83.403
Base-Backbone interact. energy: -0.132
local terms energy: -94.183077
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -282.009421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.009421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.009421 (E_RNA)
where:
Base-Base interactions energy: -195.397
where: short stacking energy: -89.068
Base-Backbone interact. energy: -0.090
local terms energy: -86.522843
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -23.921
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: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -288.978590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.978590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.978590 (E_RNA)
where:
Base-Base interactions energy: -191.604
where: short stacking energy: -88.145
Base-Backbone interact. energy: -0.637
local terms energy: -96.737474
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -26.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -275.140530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.140530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.140530 (E_RNA)
where:
Base-Base interactions energy: -183.827
where: short stacking energy: -80.140
Base-Backbone interact. energy: -0.053
local terms energy: -91.260610
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -23.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -255.953426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.953426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.953426 (E_RNA)
where:
Base-Base interactions energy: -179.457
where: short stacking energy: -72.947
Base-Backbone interact. energy: -0.343
local terms energy: -76.154209
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -242.146643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.146643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.146643 (E_RNA)
where:
Base-Base interactions energy: -159.074
where: short stacking energy: -70.089
Base-Backbone interact. energy: 0.239
local terms energy: -83.312457
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -228.302687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.302687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.302687 (E_RNA)
where:
Base-Base interactions energy: -149.178
where: short stacking energy: -74.925
Base-Backbone interact. energy: -0.758
local terms energy: -78.366225
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -97.596169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.596169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.596169 (E_RNA)
where:
Base-Base interactions energy: -33.960
where: short stacking energy: -31.442
Base-Backbone interact. energy: 4.415
local terms energy: -68.051341
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -14.043
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: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -99.925691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.925691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.925691 (E_RNA)
where:
Base-Base interactions energy: -38.534
where: short stacking energy: -31.988
Base-Backbone interact. energy: 0.811
local terms energy: -62.203327
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -83.146731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.146731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.146731 (E_RNA)
where:
Base-Base interactions energy: -32.301
where: short stacking energy: -26.677
Base-Backbone interact. energy: -1.332
local terms energy: -49.513317
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: 2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -295.855618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.855618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.855618 (E_RNA)
where:
Base-Base interactions energy: -207.050
where: short stacking energy: -82.590
Base-Backbone interact. energy: -0.575
local terms energy: -88.229931
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -11.452
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: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -288.746410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.746410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.746410 (E_RNA)
where:
Base-Base interactions energy: -186.646
where: short stacking energy: -91.985
Base-Backbone interact. energy: -0.067
local terms energy: -102.033467
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -28.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -272.771808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.771808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.771808 (E_RNA)
where:
Base-Base interactions energy: -185.157
where: short stacking energy: -84.473
Base-Backbone interact. energy: -0.113
local terms energy: -87.502232
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -19.403
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: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -261.115856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.115856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.115856 (E_RNA)
where:
Base-Base interactions energy: -169.617
where: short stacking energy: -73.834
Base-Backbone interact. energy: -0.159
local terms energy: -91.339176
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -22.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -270.818248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.818248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.818248 (E_RNA)
where:
Base-Base interactions energy: -190.219
where: short stacking energy: -77.332
Base-Backbone interact. energy: 1.130
local terms energy: -81.728627
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -21.338
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: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -247.272392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.272392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.272392 (E_RNA)
where:
Base-Base interactions energy: -159.981
where: short stacking energy: -67.635
Base-Backbone interact. energy: -0.235
local terms energy: -87.055542
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -219.073255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.073255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.073255 (E_RNA)
where:
Base-Base interactions energy: -143.169
where: short stacking energy: -70.605
Base-Backbone interact. energy: -0.028
local terms energy: -75.876342
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -18.468
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: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -101.719543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.719543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.719543 (E_RNA)
where:
Base-Base interactions energy: -41.664
where: short stacking energy: -27.470
Base-Backbone interact. energy: -0.484
local terms energy: -59.571797
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: 0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -92.744582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.744582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.744582 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.122
local terms energy: -58.745177
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -92.139953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.139953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.139953 (E_RNA)
where:
Base-Base interactions energy: -33.049
where: short stacking energy: -13.021
Base-Backbone interact. energy: -1.233
local terms energy: -57.858206
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: 6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -284.470601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.470601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.470601 (E_RNA)
where:
Base-Base interactions energy: -189.499
where: short stacking energy: -91.760
Base-Backbone interact. energy: -0.057
local terms energy: -94.915221
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -23.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -287.388640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.388640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.388640 (E_RNA)
where:
Base-Base interactions energy: -203.404
where: short stacking energy: -85.592
Base-Backbone interact. energy: -0.089
local terms energy: -83.895599
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -12.570
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: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -289.636316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.636316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.636316 (E_RNA)
where:
Base-Base interactions energy: -189.328
where: short stacking energy: -90.293
Base-Backbone interact. energy: -0.037
local terms energy: -100.271263
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -26.838
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: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -270.393869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.393869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.393869 (E_RNA)
where:
Base-Base interactions energy: -180.208
where: short stacking energy: -79.086
Base-Backbone interact. energy: -0.083
local terms energy: -90.103685
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -252.627640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.627640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.627640 (E_RNA)
where:
Base-Base interactions energy: -173.258
where: short stacking energy: -76.631
Base-Backbone interact. energy: -1.869
local terms energy: -77.500430
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -265.101415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.101415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.101415 (E_RNA)
where:
Base-Base interactions energy: -177.319
where: short stacking energy: -80.559
Base-Backbone interact. energy: -0.090
local terms energy: -87.692253
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -23.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -207.871349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.871349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.871349 (E_RNA)
where:
Base-Base interactions energy: -135.685
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.096
local terms energy: -72.090449
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -13.292
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: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -92.871009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.871009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.871009 (E_RNA)
where:
Base-Base interactions energy: -40.052
where: short stacking energy: -40.015
Base-Backbone interact. energy: -0.091
local terms energy: -52.728708
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -95.466573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.466573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.466573 (E_RNA)
where:
Base-Base interactions energy: -35.322
where: short stacking energy: -20.614
Base-Backbone interact. energy: -1.152
local terms energy: -58.992447
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -13.955
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: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -97.826938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.826938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.826938 (E_RNA)
where:
Base-Base interactions energy: -42.095
where: short stacking energy: -33.023
Base-Backbone interact. energy: -0.636
local terms energy: -55.095699
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -4.836
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: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -294.835679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.835679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.835679 (E_RNA)
where:
Base-Base interactions energy: -198.016
where: short stacking energy: -83.758
Base-Backbone interact. energy: -0.521
local terms energy: -96.299141
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -13.451
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: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -282.892276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.892276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.892276 (E_RNA)
where:
Base-Base interactions energy: -189.423
where: short stacking energy: -88.296
Base-Backbone interact. energy: -0.022
local terms energy: -93.447184
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -27.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -294.886296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.886296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.886296 (E_RNA)
where:
Base-Base interactions energy: -198.186
where: short stacking energy: -86.940
Base-Backbone interact. energy: -0.077
local terms energy: -96.623363
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -14.831
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: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -276.005394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.005394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.005394 (E_RNA)
where:
Base-Base interactions energy: -189.128
where: short stacking energy: -81.747
Base-Backbone interact. energy: -0.101
local terms energy: -86.776560
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -262.183382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.183382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.183382 (E_RNA)
where:
Base-Base interactions energy: -173.045
where: short stacking energy: -73.770
Base-Backbone interact. energy: -0.007
local terms energy: -89.131131
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -282.766343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.766343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.766343 (E_RNA)
where:
Base-Base interactions energy: -191.439
where: short stacking energy: -80.935
Base-Backbone interact. energy: -0.084
local terms energy: -91.243408
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -16.808
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: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -195.457038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.457038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.457038 (E_RNA)
where:
Base-Base interactions energy: -124.772
where: short stacking energy: -59.483
Base-Backbone interact. energy: -0.337
local terms energy: -70.347941
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -14.971
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: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -107.085455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.085455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.085455 (E_RNA)
where:
Base-Base interactions energy: -44.905
where: short stacking energy: -44.905
Base-Backbone interact. energy: -0.149
local terms energy: -62.031946
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -9.075
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: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -87.705137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.705137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.705137 (E_RNA)
where:
Base-Base interactions energy: -43.811
where: short stacking energy: -25.297
Base-Backbone interact. energy: -0.741
local terms energy: -43.152865
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: 2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -86.605348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.605348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.605348 (E_RNA)
where:
Base-Base interactions energy: -25.456
where: short stacking energy: -21.152
Base-Backbone interact. energy: -0.231
local terms energy: -60.918960
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -10.767
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: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -294.509162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.509162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.509162 (E_RNA)
where:
Base-Base interactions energy: -202.483
where: short stacking energy: -86.906
Base-Backbone interact. energy: -0.003
local terms energy: -92.022977
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -11.805
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: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -280.903140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.903140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.903140 (E_RNA)
where:
Base-Base interactions energy: -182.110
where: short stacking energy: -78.468
Base-Backbone interact. energy: -0.120
local terms energy: -98.673476
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -26.241
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: 10
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -282.280299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.280299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.280299 (E_RNA)
where:
Base-Base interactions energy: -188.681
where: short stacking energy: -82.947
Base-Backbone interact. energy: -0.009
local terms energy: -93.589998
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -278.506251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.506251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.506251 (E_RNA)
where:
Base-Base interactions energy: -184.592
where: short stacking energy: -84.718
Base-Backbone interact. energy: -0.010
local terms energy: -93.904148
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -30.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -257.825245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.825245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.825245 (E_RNA)
where:
Base-Base interactions energy: -171.345
where: short stacking energy: -77.617
Base-Backbone interact. energy: -0.008
local terms energy: -86.472493
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -24.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -253.174893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.174893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.174893 (E_RNA)
where:
Base-Base interactions energy: -167.043
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.197
local terms energy: -85.935163
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -203.359771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.359771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.359771 (E_RNA)
where:
Base-Base interactions energy: -130.940
where: short stacking energy: -64.129
Base-Backbone interact. energy: -0.184
local terms energy: -72.235368
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -99.521405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.521405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.521405 (E_RNA)
where:
Base-Base interactions energy: -33.659
where: short stacking energy: -31.098
Base-Backbone interact. energy: -0.038
local terms energy: -65.824047
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -6.853
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: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -96.231959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.231959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.231959 (E_RNA)
where:
Base-Base interactions energy: -30.598
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.150
local terms energy: -65.483325
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -91.085872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.085872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.085872 (E_RNA)
where:
Base-Base interactions energy: -31.232
where: short stacking energy: -31.232
Base-Backbone interact. energy: -0.594
local terms energy: -59.260042
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -1.066
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -302.399707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.399707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.399707 (E_RNA)
where:
Base-Base interactions energy: -207.287
where: short stacking energy: -89.985
Base-Backbone interact. energy: -0.071
local terms energy: -95.042342
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -26.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -278.991632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.991632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.991632 (E_RNA)
where:
Base-Base interactions energy: -181.952
where: short stacking energy: -86.165
Base-Backbone interact. energy: -0.117
local terms energy: -96.922582
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -29.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -263.674531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.674531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.674531 (E_RNA)
where:
Base-Base interactions energy: -168.141
where: short stacking energy: -79.487
Base-Backbone interact. energy: -2.722
local terms energy: -92.811579
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -273.976287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.976287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.976287 (E_RNA)
where:
Base-Base interactions energy: -182.538
where: short stacking energy: -75.040
Base-Backbone interact. energy: -0.063
local terms energy: -91.375224
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -16.295
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: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -260.242516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.242516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.242516 (E_RNA)
where:
Base-Base interactions energy: -173.160
where: short stacking energy: -72.129
Base-Backbone interact. energy: -0.679
local terms energy: -86.403423
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -9.559
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: 6, replica: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -256.785641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.785641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.785641 (E_RNA)
where:
Base-Base interactions energy: -175.388
where: short stacking energy: -73.325
Base-Backbone interact. energy: -0.321
local terms energy: -81.076105
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -12.976
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: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -195.677967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.677967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.677967 (E_RNA)
where:
Base-Base interactions energy: -127.541
where: short stacking energy: -61.202
Base-Backbone interact. energy: -0.130
local terms energy: -68.007165
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -105.703836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.703836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.703836 (E_RNA)
where:
Base-Base interactions energy: -41.167
where: short stacking energy: -33.538
Base-Backbone interact. energy: 2.321
local terms energy: -66.857723
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -143.938639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.938639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.938639 (E_RNA)
where:
Base-Base interactions energy: -74.251
where: short stacking energy: -41.751
Base-Backbone interact. energy: -0.137
local terms energy: -69.550378
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -79.718744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.718744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.718744 (E_RNA)
where:
Base-Base interactions energy: -18.085
where: short stacking energy: -16.258
Base-Backbone interact. energy: 0.978
local terms energy: -62.612304
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -10.546
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: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -311.827421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.827421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.827421 (E_RNA)
where:
Base-Base interactions energy: -209.478
where: short stacking energy: -87.214
Base-Backbone interact. energy: -0.310
local terms energy: -102.039069
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -26.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -287.015931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.015931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.015931 (E_RNA)
where:
Base-Base interactions energy: -190.863
where: short stacking energy: -88.279
Base-Backbone interact. energy: -0.001
local terms energy: -96.151437
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -275.868403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.868403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.868403 (E_RNA)
where:
Base-Base interactions energy: -183.186
where: short stacking energy: -76.241
Base-Backbone interact. energy: -0.120
local terms energy: -92.562565
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -248.344800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.344800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.344800 (E_RNA)
where:
Base-Base interactions energy: -157.281
where: short stacking energy: -69.585
Base-Backbone interact. energy: -0.037
local terms energy: -91.027253
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -10.987
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: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -264.632475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.632475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.632475 (E_RNA)
where:
Base-Base interactions energy: -171.865
where: short stacking energy: -76.094
Base-Backbone interact. energy: -0.920
local terms energy: -91.847312
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -248.518054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.518054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.518054 (E_RNA)
where:
Base-Base interactions energy: -165.656
where: short stacking energy: -77.715
Base-Backbone interact. energy: -0.142
local terms energy: -82.720806
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -21.449
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: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -203.562680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.562680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.562680 (E_RNA)
where:
Base-Base interactions energy: -129.161
where: short stacking energy: -62.919
Base-Backbone interact. energy: -0.137
local terms energy: -74.264933
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -12.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -93.701792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.701792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.701792 (E_RNA)
where:
Base-Base interactions energy: -33.214
where: short stacking energy: -22.581
Base-Backbone interact. energy: -0.140
local terms energy: -60.347390
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -2.539
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: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -113.908866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.908866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.908866 (E_RNA)
where:
Base-Base interactions energy: -62.926
where: short stacking energy: -28.793
Base-Backbone interact. energy: -0.209
local terms energy: -50.773561
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -6.785
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -4.341
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: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -82.854562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.854562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.854562 (E_RNA)
where:
Base-Base interactions energy: -25.331
where: short stacking energy: -20.891
Base-Backbone interact. energy: 0.139
local terms energy: -57.662398
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: 0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -302.697137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.697137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.697137 (E_RNA)
where:
Base-Base interactions energy: -208.009
where: short stacking energy: -90.454
Base-Backbone interact. energy: -0.100
local terms energy: -94.588252
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -22.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -291.392753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.392753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.392753 (E_RNA)
where:
Base-Base interactions energy: -190.810
where: short stacking energy: -95.620
Base-Backbone interact. energy: -0.052
local terms energy: -100.531373
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -29.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -291.638177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.638177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.638177 (E_RNA)
where:
Base-Base interactions energy: -195.615
where: short stacking energy: -85.503
Base-Backbone interact. energy: -0.046
local terms energy: -95.977530
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -271.628300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.628300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.628300 (E_RNA)
where:
Base-Base interactions energy: -179.811
where: short stacking energy: -75.652
Base-Backbone interact. energy: -0.069
local terms energy: -91.748289
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -249.232056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.232056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.232056 (E_RNA)
where:
Base-Base interactions energy: -153.052
where: short stacking energy: -70.833
Base-Backbone interact. energy: -1.157
local terms energy: -95.023186
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -261.963624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.963624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.963624 (E_RNA)
where:
Base-Base interactions energy: -174.363
where: short stacking energy: -76.787
Base-Backbone interact. energy: -0.063
local terms energy: -87.537803
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -11.807
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -215.750405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.750405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.750405 (E_RNA)
where:
Base-Base interactions energy: -141.735
where: short stacking energy: -62.286
Base-Backbone interact. energy: -0.104
local terms energy: -73.911359
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -117.557160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.557160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.557160 (E_RNA)
where:
Base-Base interactions energy: -46.463
where: short stacking energy: -36.292
Base-Backbone interact. energy: -0.139
local terms energy: -70.955477
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -105.018742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.018742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.018742 (E_RNA)
where:
Base-Base interactions energy: -46.745
where: short stacking energy: -34.455
Base-Backbone interact. energy: 0.268
local terms energy: -58.541584
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -84.356355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.356355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.356355 (E_RNA)
where:
Base-Base interactions energy: -29.441
where: short stacking energy: -29.441
Base-Backbone interact. energy: -0.224
local terms energy: -54.691369
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: 1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -294.671277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.671277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.671277 (E_RNA)
where:
Base-Base interactions energy: -203.306
where: short stacking energy: -84.190
Base-Backbone interact. energy: -0.037
local terms energy: -91.328182
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -23.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -287.154544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.154544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.154544 (E_RNA)
where:
Base-Base interactions energy: -190.220
where: short stacking energy: -83.202
Base-Backbone interact. energy: 0.498
local terms energy: -97.432448
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -29.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -281.416348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.416348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.416348 (E_RNA)
where:
Base-Base interactions energy: -183.395
where: short stacking energy: -79.400
Base-Backbone interact. energy: 0.084
local terms energy: -98.105018
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -21.349
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: 300
Temperature: 1.050000
Total energy: -277.436458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.436458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.436458 (E_RNA)
where:
Base-Base interactions energy: -183.879
where: short stacking energy: -81.623
Base-Backbone interact. energy: -0.003
local terms energy: -93.553749
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -27.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -263.984539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.984539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.984539 (E_RNA)
where:
Base-Base interactions energy: -177.673
where: short stacking energy: -76.780
Base-Backbone interact. energy: 2.220
local terms energy: -88.531813
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -263.066871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.066871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.066871 (E_RNA)
where:
Base-Base interactions energy: -177.806
where: short stacking energy: -86.006
Base-Backbone interact. energy: -0.043
local terms energy: -85.217521
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -28.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -199.265193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.265193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.265193 (E_RNA)
where:
Base-Base interactions energy: -132.581
where: short stacking energy: -55.297
Base-Backbone interact. energy: 0.390
local terms energy: -67.073770
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -95.655092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.655092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.655092 (E_RNA)
where:
Base-Base interactions energy: -48.218
where: short stacking energy: -27.246
Base-Backbone interact. energy: -0.308
local terms energy: -47.129370
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: 1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -94.036222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.036222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.036222 (E_RNA)
where:
Base-Base interactions energy: -40.603
where: short stacking energy: -40.348
Base-Backbone interact. energy: -0.155
local terms energy: -53.277498
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -4.535
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -87.551350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.551350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.551350 (E_RNA)
where:
Base-Base interactions energy: -38.214
where: short stacking energy: -31.434
Base-Backbone interact. energy: -0.163
local terms energy: -49.174373
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -1.345
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -298.802532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.802532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.802532 (E_RNA)
where:
Base-Base interactions energy: -199.720
where: short stacking energy: -85.980
Base-Backbone interact. energy: -0.451
local terms energy: -98.631640
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -281.980444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.980444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.980444 (E_RNA)
where:
Base-Base interactions energy: -193.239
where: short stacking energy: -82.800
Base-Backbone interact. energy: -0.036
local terms energy: -88.704551
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -267.290755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.290755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.290755 (E_RNA)
where:
Base-Base interactions energy: -182.227
where: short stacking energy: -83.261
Base-Backbone interact. energy: -0.587
local terms energy: -84.476795
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -20.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -282.516612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.516612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.516612 (E_RNA)
where:
Base-Base interactions energy: -190.457
where: short stacking energy: -78.241
Base-Backbone interact. energy: -0.159
local terms energy: -91.900691
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -12.158
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: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -266.339997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.339997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.339997 (E_RNA)
where:
Base-Base interactions energy: -173.765
where: short stacking energy: -81.031
Base-Backbone interact. energy: -0.001
local terms energy: -92.574172
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -263.340753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.340753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.340753 (E_RNA)
where:
Base-Base interactions energy: -177.538
where: short stacking energy: -75.871
Base-Backbone interact. energy: -0.014
local terms energy: -85.788405
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -24.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -194.623535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.623535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.623535 (E_RNA)
where:
Base-Base interactions energy: -132.967
where: short stacking energy: -57.035
Base-Backbone interact. energy: -0.137
local terms energy: -61.519390
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -101.762269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.762269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.762269 (E_RNA)
where:
Base-Base interactions energy: -35.769
where: short stacking energy: -31.144
Base-Backbone interact. energy: 0.516
local terms energy: -66.508926
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -100.710767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.710767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.710767 (E_RNA)
where:
Base-Base interactions energy: -40.782
where: short stacking energy: -37.960
Base-Backbone interact. energy: -0.356
local terms energy: -59.573037
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -95.550908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.550908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.550908 (E_RNA)
where:
Base-Base interactions energy: -36.589
where: short stacking energy: -36.110
Base-Backbone interact. energy: -0.141
local terms energy: -58.820876
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -4.080
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: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -295.007023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.007023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.007023 (E_RNA)
where:
Base-Base interactions energy: -194.103
where: short stacking energy: -87.179
Base-Backbone interact. energy: -0.308
local terms energy: -100.596590
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -27.226
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: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -270.090700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.090700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.090700 (E_RNA)
where:
Base-Base interactions energy: -175.610
where: short stacking energy: -82.571
Base-Backbone interact. energy: -0.018
local terms energy: -94.462855
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -22.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -270.392718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.392718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.392718 (E_RNA)
where:
Base-Base interactions energy: -184.670
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.174
local terms energy: -85.548913
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -19.461
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: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -286.155439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.155439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.155439 (E_RNA)
where:
Base-Base interactions energy: -194.325
where: short stacking energy: -85.295
Base-Backbone interact. energy: -0.078
local terms energy: -91.752776
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -11.668
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: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -269.300824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.300824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.300824 (E_RNA)
where:
Base-Base interactions energy: -178.394
where: short stacking energy: -80.042
Base-Backbone interact. energy: -0.100
local terms energy: -90.806421
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -24.251
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: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -250.282938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.282938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.282938 (E_RNA)
where:
Base-Base interactions energy: -179.161
where: short stacking energy: -66.504
Base-Backbone interact. energy: 0.481
local terms energy: -71.603279
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -218.356549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.356549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.356549 (E_RNA)
where:
Base-Base interactions energy: -138.318
where: short stacking energy: -58.052
Base-Backbone interact. energy: -0.039
local terms energy: -79.999700
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -109.096076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.096076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.096076 (E_RNA)
where:
Base-Base interactions energy: -44.754
where: short stacking energy: -35.105
Base-Backbone interact. energy: -0.882
local terms energy: -63.460045
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -102.537961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.537961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.537961 (E_RNA)
where:
Base-Base interactions energy: -43.105
where: short stacking energy: -37.842
Base-Backbone interact. energy: 0.889
local terms energy: -60.321144
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -84.659516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.659516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.659516 (E_RNA)
where:
Base-Base interactions energy: -32.539
where: short stacking energy: -30.584
Base-Backbone interact. energy: 0.013
local terms energy: -52.134167
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -7.032
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: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -298.269805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.269805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.269805 (E_RNA)
where:
Base-Base interactions energy: -200.096
where: short stacking energy: -85.151
Base-Backbone interact. energy: -0.089
local terms energy: -98.083972
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -27.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -280.243720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.243720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.243720 (E_RNA)
where:
Base-Base interactions energy: -188.866
where: short stacking energy: -68.483
Base-Backbone interact. energy: -0.224
local terms energy: -91.153982
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -271.022224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.022224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.022224 (E_RNA)
where:
Base-Base interactions energy: -180.698
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.513
local terms energy: -89.811322
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -271.561789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.561789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.561789 (E_RNA)
where:
Base-Base interactions energy: -179.973
where: short stacking energy: -84.398
Base-Backbone interact. energy: -0.013
local terms energy: -91.575856
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -27.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -269.492315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.492315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.492315 (E_RNA)
where:
Base-Base interactions energy: -174.534
where: short stacking energy: -76.522
Base-Backbone interact. energy: -0.086
local terms energy: -94.872045
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -234.523416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.523416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.523416 (E_RNA)
where:
Base-Base interactions energy: -146.379
where: short stacking energy: -70.754
Base-Backbone interact. energy: -0.152
local terms energy: -87.992303
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -212.504414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.504414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.504414 (E_RNA)
where:
Base-Base interactions energy: -135.243
where: short stacking energy: -60.022
Base-Backbone interact. energy: -1.371
local terms energy: -75.890125
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -13.405
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: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -107.568196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.568196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.568196 (E_RNA)
where:
Base-Base interactions energy: -45.301
where: short stacking energy: -31.456
Base-Backbone interact. energy: -1.476
local terms energy: -60.791955
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -9.275
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: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -91.007796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.007796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.007796 (E_RNA)
where:
Base-Base interactions energy: -32.205
where: short stacking energy: -32.205
Base-Backbone interact. energy: 3.712
local terms energy: -62.515681
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -4.419
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: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -94.213275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.213275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.213275 (E_RNA)
where:
Base-Base interactions energy: -32.320
where: short stacking energy: -18.190
Base-Backbone interact. energy: -0.555
local terms energy: -61.338402
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -286.452596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.452596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.452596 (E_RNA)
where:
Base-Base interactions energy: -198.428
where: short stacking energy: -84.915
Base-Backbone interact. energy: -0.137
local terms energy: -87.886913
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -25.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -260.179623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.179623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.179623 (E_RNA)
where:
Base-Base interactions energy: -163.472
where: short stacking energy: -71.195
Base-Backbone interact. energy: -0.318
local terms energy: -96.389544
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -22.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -273.478266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.478266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.478266 (E_RNA)
where:
Base-Base interactions energy: -174.345
where: short stacking energy: -76.207
Base-Backbone interact. energy: -0.056
local terms energy: -99.077959
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -247.864038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.864038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.864038 (E_RNA)
where:
Base-Base interactions energy: -170.432
where: short stacking energy: -65.115
Base-Backbone interact. energy: -0.253
local terms energy: -77.178743
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -10.215
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: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -246.644399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.644399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.644399 (E_RNA)
where:
Base-Base interactions energy: -163.680
where: short stacking energy: -72.891
Base-Backbone interact. energy: -0.003
local terms energy: -82.961991
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -227.052227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.052227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.052227 (E_RNA)
where:
Base-Base interactions energy: -146.921
where: short stacking energy: -63.122
Base-Backbone interact. energy: -0.107
local terms energy: -80.024201
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -16.182
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: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -235.701364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.701364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.701364 (E_RNA)
where:
Base-Base interactions energy: -166.964
where: short stacking energy: -65.327
Base-Backbone interact. energy: -0.083
local terms energy: -68.654157
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -100.013647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.013647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.013647 (E_RNA)
where:
Base-Base interactions energy: -47.114
where: short stacking energy: -42.153
Base-Backbone interact. energy: 0.342
local terms energy: -53.242287
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -2.027
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -88.523656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.523656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.523656 (E_RNA)
where:
Base-Base interactions energy: -21.033
where: short stacking energy: -18.033
Base-Backbone interact. energy: -0.078
local terms energy: -67.412933
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -85.634235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.634235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.634235 (E_RNA)
where:
Base-Base interactions energy: -25.547
where: short stacking energy: -7.629
Base-Backbone interact. energy: -0.101
local terms energy: -59.986204
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: 6.055
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: 305
Temperature: 0.900000
Total energy: -293.444856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.444856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.444856 (E_RNA)
where:
Base-Base interactions energy: -197.986
where: short stacking energy: -87.269
Base-Backbone interact. energy: -0.123
local terms energy: -95.336096
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -24.872
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: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -291.647468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.647468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.647468 (E_RNA)
where:
Base-Base interactions energy: -200.706
where: short stacking energy: -88.338
Base-Backbone interact. energy: -0.082
local terms energy: -90.860388
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -24.929
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: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -247.141071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.141071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.141071 (E_RNA)
where:
Base-Base interactions energy: -164.830
where: short stacking energy: -79.972
Base-Backbone interact. energy: -0.458
local terms energy: -81.853703
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -255.921495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.921495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.921495 (E_RNA)
where:
Base-Base interactions energy: -171.435
where: short stacking energy: -75.687
Base-Backbone interact. energy: -0.846
local terms energy: -83.640493
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -234.031688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.031688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.031688 (E_RNA)
where:
Base-Base interactions energy: -157.692
where: short stacking energy: -75.670
Base-Backbone interact. energy: -0.105
local terms energy: -76.235387
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -19.464
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: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -231.779192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.779192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.779192 (E_RNA)
where:
Base-Base interactions energy: -151.756
where: short stacking energy: -64.288
Base-Backbone interact. energy: 0.881
local terms energy: -80.904061
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -235.685904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.685904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.685904 (E_RNA)
where:
Base-Base interactions energy: -157.239
where: short stacking energy: -75.358
Base-Backbone interact. energy: -0.188
local terms energy: -78.258790
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -104.634852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.634852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.634852 (E_RNA)
where:
Base-Base interactions energy: -42.232
where: short stacking energy: -38.115
Base-Backbone interact. energy: -0.190
local terms energy: -62.213090
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -5.582
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: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -102.037468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.037468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.037468 (E_RNA)
where:
Base-Base interactions energy: -37.198
where: short stacking energy: -33.191
Base-Backbone interact. energy: -0.717
local terms energy: -64.123032
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -90.702128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.702128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.702128 (E_RNA)
where:
Base-Base interactions energy: -38.966
where: short stacking energy: -21.367
Base-Backbone interact. energy: -0.307
local terms energy: -51.428658
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: 5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -306.329751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.329751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.329751 (E_RNA)
where:
Base-Base interactions energy: -210.011
where: short stacking energy: -90.577
Base-Backbone interact. energy: -0.038
local terms energy: -96.281554
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -23.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -288.020261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.020261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.020261 (E_RNA)
where:
Base-Base interactions energy: -195.646
where: short stacking energy: -78.675
Base-Backbone interact. energy: -0.675
local terms energy: -91.698691
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -14.770
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: 3, replica: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -270.595121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.595121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.595121 (E_RNA)
where:
Base-Base interactions energy: -192.668
where: short stacking energy: -79.455
Base-Backbone interact. energy: -0.105
local terms energy: -77.822724
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -244.444323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.444323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.444323 (E_RNA)
where:
Base-Base interactions energy: -159.855
where: short stacking energy: -75.955
Base-Backbone interact. energy: -0.026
local terms energy: -84.564039
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -15.485
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: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -237.999393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.999393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.999393 (E_RNA)
where:
Base-Base interactions energy: -151.915
where: short stacking energy: -63.574
Base-Backbone interact. energy: -0.050
local terms energy: -86.034307
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -213.847724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.847724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.847724 (E_RNA)
where:
Base-Base interactions energy: -135.198
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.024
local terms energy: -78.625615
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -263.206699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.206699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.206699 (E_RNA)
where:
Base-Base interactions energy: -175.562
where: short stacking energy: -77.975
Base-Backbone interact. energy: -0.472
local terms energy: -87.172746
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -100.719429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.719429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.719429 (E_RNA)
where:
Base-Base interactions energy: -30.257
where: short stacking energy: -28.262
Base-Backbone interact. energy: -0.178
local terms energy: -70.284074
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -104.516932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.516932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.516932 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -34.474
Base-Backbone interact. energy: 0.233
local terms energy: -69.921557
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -9.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -96.231912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.231912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.231912 (E_RNA)
where:
Base-Base interactions energy: -48.840
where: short stacking energy: -37.637
Base-Backbone interact. energy: -0.093
local terms energy: -47.298935
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -0.257
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -297.140806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.140806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.140806 (E_RNA)
where:
Base-Base interactions energy: -198.730
where: short stacking energy: -82.432
Base-Backbone interact. energy: -0.480
local terms energy: -97.931476
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -28.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -275.044457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.044457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.044457 (E_RNA)
where:
Base-Base interactions energy: -191.532
where: short stacking energy: -88.438
Base-Backbone interact. energy: 0.703
local terms energy: -84.215903
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -23.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -275.447136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.447136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.447136 (E_RNA)
where:
Base-Base interactions energy: -183.318
where: short stacking energy: -81.011
Base-Backbone interact. energy: -0.063
local terms energy: -92.065483
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -282.141502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.141502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.141502 (E_RNA)
where:
Base-Base interactions energy: -186.370
where: short stacking energy: -87.844
Base-Backbone interact. energy: -0.076
local terms energy: -95.695470
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -11.844
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: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -239.680994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.680994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.680994 (E_RNA)
where:
Base-Base interactions energy: -161.938
where: short stacking energy: -74.244
Base-Backbone interact. energy: -0.112
local terms energy: -77.631140
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -19.521
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: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -269.570232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.570232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.570232 (E_RNA)
where:
Base-Base interactions energy: -193.393
where: short stacking energy: -79.861
Base-Backbone interact. energy: -0.193
local terms energy: -75.984763
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -208.580868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.580868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.580868 (E_RNA)
where:
Base-Base interactions energy: -130.549
where: short stacking energy: -58.332
Base-Backbone interact. energy: -0.004
local terms energy: -78.027488
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -17.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -101.425104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.425104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.425104 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -30.939
Base-Backbone interact. energy: 0.364
local terms energy: -62.026839
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -8.849
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: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -96.763662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.763662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.763662 (E_RNA)
where:
Base-Base interactions energy: -44.376
where: short stacking energy: -29.873
Base-Backbone interact. energy: -0.159
local terms energy: -52.229085
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -88.504880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.504880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.504880 (E_RNA)
where:
Base-Base interactions energy: -31.871
where: short stacking energy: -31.871
Base-Backbone interact. energy: -0.551
local terms energy: -56.082755
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -8.692
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: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -296.148341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.148341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.148341 (E_RNA)
where:
Base-Base interactions energy: -202.811
where: short stacking energy: -83.150
Base-Backbone interact. energy: -0.221
local terms energy: -93.116318
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -21.581
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: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -285.220708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.220708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.220708 (E_RNA)
where:
Base-Base interactions energy: -192.301
where: short stacking energy: -76.784
Base-Backbone interact. energy: -0.485
local terms energy: -92.434537
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -16.160
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: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -292.865394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.865394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.865394 (E_RNA)
where:
Base-Base interactions energy: -198.912
where: short stacking energy: -80.778
Base-Backbone interact. energy: -0.718
local terms energy: -93.235431
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -15.353
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: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -277.516183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.516183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.516183 (E_RNA)
where:
Base-Base interactions energy: -182.088
where: short stacking energy: -84.206
Base-Backbone interact. energy: -0.122
local terms energy: -95.305502
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -14.376
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: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -256.559164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.559164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.559164 (E_RNA)
where:
Base-Base interactions energy: -167.569
where: short stacking energy: -70.911
Base-Backbone interact. energy: -0.002
local terms energy: -88.988804
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -236.921312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.921312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.921312 (E_RNA)
where:
Base-Base interactions energy: -157.177
where: short stacking energy: -65.573
Base-Backbone interact. energy: -0.299
local terms energy: -79.445854
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -18.182
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: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -203.845484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.845484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.845484 (E_RNA)
where:
Base-Base interactions energy: -130.050
where: short stacking energy: -53.052
Base-Backbone interact. energy: -0.792
local terms energy: -73.003144
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -11.368
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: 308
Temperature: 1.250000
Total energy: -102.251949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.251949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.251949 (E_RNA)
where:
Base-Base interactions energy: -42.553
where: short stacking energy: -39.647
Base-Backbone interact. energy: -0.203
local terms energy: -59.495740
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: 0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -82.960020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.960020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.960020 (E_RNA)
where:
Base-Base interactions energy: -23.559
where: short stacking energy: -19.552
Base-Backbone interact. energy: 0.186
local terms energy: -59.586700
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: 1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -85.009368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.009368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.009368 (E_RNA)
where:
Base-Base interactions energy: -25.009
where: short stacking energy: -23.847
Base-Backbone interact. energy: -0.155
local terms energy: -59.845585
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -2.368
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: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -297.776618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.776618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.776618 (E_RNA)
where:
Base-Base interactions energy: -195.663
where: short stacking energy: -86.272
Base-Backbone interact. energy: -0.004
local terms energy: -102.109173
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -25.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -298.002281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.002281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.002281 (E_RNA)
where:
Base-Base interactions energy: -203.692
where: short stacking energy: -88.939
Base-Backbone interact. energy: -0.100
local terms energy: -94.209779
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -27.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -291.674542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.674542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.674542 (E_RNA)
where:
Base-Base interactions energy: -197.893
where: short stacking energy: -83.884
Base-Backbone interact. energy: -0.064
local terms energy: -93.717280
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -14.479
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: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -250.146433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.146433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.146433 (E_RNA)
where:
Base-Base interactions energy: -167.082
where: short stacking energy: -71.352
Base-Backbone interact. energy: -0.137
local terms energy: -82.927271
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -262.862671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.862671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.862671 (E_RNA)
where:
Base-Base interactions energy: -176.233
where: short stacking energy: -72.912
Base-Backbone interact. energy: -0.169
local terms energy: -86.460661
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -11.703
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: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -225.809340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.809340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.809340 (E_RNA)
where:
Base-Base interactions energy: -143.461
where: short stacking energy: -67.154
Base-Backbone interact. energy: -0.681
local terms energy: -81.667622
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -246.211462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.211462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.211462 (E_RNA)
where:
Base-Base interactions energy: -168.528
where: short stacking energy: -69.755
Base-Backbone interact. energy: -0.110
local terms energy: -77.574175
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -19.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -91.952585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.952585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.952585 (E_RNA)
where:
Base-Base interactions energy: -38.157
where: short stacking energy: -32.392
Base-Backbone interact. energy: 1.034
local terms energy: -54.829520
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -6.587
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: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -152.935309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.935309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.935309 (E_RNA)
where:
Base-Base interactions energy: -76.854
where: short stacking energy: -39.986
Base-Backbone interact. energy: -0.113
local terms energy: -75.968657
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -97.486272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.486272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.486272 (E_RNA)
where:
Base-Base interactions energy: -35.826
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.350
local terms energy: -61.310727
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -294.039310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.039310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.039310 (E_RNA)
where:
Base-Base interactions energy: -206.029
where: short stacking energy: -83.130
Base-Backbone interact. energy: -0.182
local terms energy: -87.828742
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -24.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -284.336519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.336519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.336519 (E_RNA)
where:
Base-Base interactions energy: -188.333
where: short stacking energy: -75.251
Base-Backbone interact. energy: -0.045
local terms energy: -95.958005
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -259.345731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.345731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.345731 (E_RNA)
where:
Base-Base interactions energy: -171.525
where: short stacking energy: -66.284
Base-Backbone interact. energy: -0.184
local terms energy: -87.636541
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -16.661
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: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -255.294907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.294907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.294907 (E_RNA)
where:
Base-Base interactions energy: -169.655
where: short stacking energy: -68.931
Base-Backbone interact. energy: -0.278
local terms energy: -85.361861
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -13.703
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: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -252.524835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.524835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.524835 (E_RNA)
where:
Base-Base interactions energy: -166.572
where: short stacking energy: -68.186
Base-Backbone interact. energy: 0.590
local terms energy: -86.542755
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -216.332165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.332165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.332165 (E_RNA)
where:
Base-Base interactions energy: -145.759
where: short stacking energy: -62.889
Base-Backbone interact. energy: 0.004
local terms energy: -70.577512
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -11.494
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -245.531257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.531257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.531257 (E_RNA)
where:
Base-Base interactions energy: -158.429
where: short stacking energy: -65.568
Base-Backbone interact. energy: -0.042
local terms energy: -87.060119
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -95.448270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.448270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.448270 (E_RNA)
where:
Base-Base interactions energy: -30.223
where: short stacking energy: -22.444
Base-Backbone interact. energy: -0.025
local terms energy: -65.200233
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -9.546
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: 9, replica: 5
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -89.042178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.042178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.042178 (E_RNA)
where:
Base-Base interactions energy: -28.380
where: short stacking energy: -28.380
Base-Backbone interact. energy: -0.116
local terms energy: -60.546396
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -153.773189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.773189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.773189 (E_RNA)
where:
Base-Base interactions energy: -92.031
where: short stacking energy: -51.477
Base-Backbone interact. energy: -0.054
local terms energy: -61.688662
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -299.438395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.438395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.438395 (E_RNA)
where:
Base-Base interactions energy: -202.535
where: short stacking energy: -82.147
Base-Backbone interact. energy: -0.095
local terms energy: -96.808103
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -287.701560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.701560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.701560 (E_RNA)
where:
Base-Base interactions energy: -196.367
where: short stacking energy: -85.396
Base-Backbone interact. energy: -0.003
local terms energy: -91.331669
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -266.632557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.632557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.632557 (E_RNA)
where:
Base-Base interactions energy: -179.960
where: short stacking energy: -77.601
Base-Backbone interact. energy: -0.044
local terms energy: -86.628315
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -25.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -269.151571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.151571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.151571 (E_RNA)
where:
Base-Base interactions energy: -183.112
where: short stacking energy: -82.584
Base-Backbone interact. energy: 1.268
local terms energy: -87.307893
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -258.977935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.977935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.977935 (E_RNA)
where:
Base-Base interactions energy: -180.420
where: short stacking energy: -74.787
Base-Backbone interact. energy: -0.096
local terms energy: -78.461810
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -9.225
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: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -236.897679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.897679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.897679 (E_RNA)
where:
Base-Base interactions energy: -152.586
where: short stacking energy: -67.068
Base-Backbone interact. energy: -0.024
local terms energy: -84.287172
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -17.527
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: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -215.171033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.171033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.171033 (E_RNA)
where:
Base-Base interactions energy: -138.412
where: short stacking energy: -61.107
Base-Backbone interact. energy: -0.090
local terms energy: -76.669193
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -93.277965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.277965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.277965 (E_RNA)
where:
Base-Base interactions energy: -36.160
where: short stacking energy: -32.769
Base-Backbone interact. energy: -0.123
local terms energy: -56.995283
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -6.220
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: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -100.832139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.832139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.832139 (E_RNA)
where:
Base-Base interactions energy: -42.514
where: short stacking energy: -26.476
Base-Backbone interact. energy: -0.271
local terms energy: -58.047364
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -162.012719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.012719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.012719 (E_RNA)
where:
Base-Base interactions energy: -98.541
where: short stacking energy: -40.632
Base-Backbone interact. energy: -0.063
local terms energy: -63.408860
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.638
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: 1, replica: 6
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -290.160197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.160197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.160197 (E_RNA)
where:
Base-Base interactions energy: -200.155
where: short stacking energy: -84.465
Base-Backbone interact. energy: -0.086
local terms energy: -89.919092
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -291.001807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.001807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.001807 (E_RNA)
where:
Base-Base interactions energy: -203.180
where: short stacking energy: -81.787
Base-Backbone interact. energy: -0.152
local terms energy: -87.669256
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -279.761829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.761829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.761829 (E_RNA)
where:
Base-Base interactions energy: -187.278
where: short stacking energy: -85.552
Base-Backbone interact. energy: -0.005
local terms energy: -92.478889
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -13.881
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: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -285.268725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.268725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.268725 (E_RNA)
where:
Base-Base interactions energy: -188.941
where: short stacking energy: -82.924
Base-Backbone interact. energy: -0.187
local terms energy: -96.140787
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -26.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -267.330879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.330879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.330879 (E_RNA)
where:
Base-Base interactions energy: -179.626
where: short stacking energy: -71.094
Base-Backbone interact. energy: -0.052
local terms energy: -87.652527
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -246.840059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.840059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.840059 (E_RNA)
where:
Base-Base interactions energy: -167.280
where: short stacking energy: -71.796
Base-Backbone interact. energy: -0.257
local terms energy: -79.302759
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -20.758
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: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -111.930896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.930896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.930896 (E_RNA)
where:
Base-Base interactions energy: -51.067
where: short stacking energy: -28.154
Base-Backbone interact. energy: -0.312
local terms energy: -60.551620
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -6.045
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: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -212.856544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.856544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.856544 (E_RNA)
where:
Base-Base interactions energy: -137.099
where: short stacking energy: -62.463
Base-Backbone interact. energy: -1.247
local terms energy: -74.510966
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -91.875867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.875867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.875867 (E_RNA)
where:
Base-Base interactions energy: -34.083
where: short stacking energy: -29.730
Base-Backbone interact. energy: -0.217
local terms energy: -57.575052
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -85.907338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.907338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.907338 (E_RNA)
where:
Base-Base interactions energy: -26.827
where: short stacking energy: -26.827
Base-Backbone interact. energy: -0.112
local terms energy: -58.969083
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -304.709180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.709180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.709180 (E_RNA)
where:
Base-Base interactions energy: -205.295
where: short stacking energy: -91.436
Base-Backbone interact. energy: -0.084
local terms energy: -99.329360
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -27.186
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: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -283.643048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.643048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.643048 (E_RNA)
where:
Base-Base interactions energy: -189.735
where: short stacking energy: -89.771
Base-Backbone interact. energy: -0.016
local terms energy: -93.891754
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -23.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -276.113631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.113631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.113631 (E_RNA)
where:
Base-Base interactions energy: -183.016
where: short stacking energy: -81.529
Base-Backbone interact. energy: -0.131
local terms energy: -92.966618
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -286.965268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.965268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.965268 (E_RNA)
where:
Base-Base interactions energy: -192.933
where: short stacking energy: -81.129
Base-Backbone interact. energy: 1.331
local terms energy: -95.362475
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -26.558
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: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -260.230936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.230936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.230936 (E_RNA)
where:
Base-Base interactions energy: -180.837
where: short stacking energy: -65.340
Base-Backbone interact. energy: -0.122
local terms energy: -79.271843
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -10.370
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: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -239.022429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.022429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.022429 (E_RNA)
where:
Base-Base interactions energy: -155.082
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.002
local terms energy: -83.938964
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -96.385320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.385320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.385320 (E_RNA)
where:
Base-Base interactions energy: -36.976
where: short stacking energy: -23.132
Base-Backbone interact. energy: -0.600
local terms energy: -58.809297
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -0.245
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: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -205.309190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.309190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.309190 (E_RNA)
where:
Base-Base interactions energy: -132.739
where: short stacking energy: -59.412
Base-Backbone interact. energy: -0.101
local terms energy: -72.468590
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -101.866328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.866328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.866328 (E_RNA)
where:
Base-Base interactions energy: -40.769
where: short stacking energy: -40.769
Base-Backbone interact. energy: -0.633
local terms energy: -60.464474
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -88.272835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.272835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.272835 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -34.436
Base-Backbone interact. energy: -0.347
local terms energy: -49.588787
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -8.534
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -5.936
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: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -292.185788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.185788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.185788 (E_RNA)
where:
Base-Base interactions energy: -200.044
where: short stacking energy: -81.589
Base-Backbone interact. energy: -0.095
local terms energy: -92.046624
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -24.260
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: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -293.797019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.797019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.797019 (E_RNA)
where:
Base-Base interactions energy: -198.511
where: short stacking energy: -77.285
Base-Backbone interact. energy: -0.100
local terms energy: -95.185273
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -27.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -284.606648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.606648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.606648 (E_RNA)
where:
Base-Base interactions energy: -194.936
where: short stacking energy: -85.414
Base-Backbone interact. energy: -0.070
local terms energy: -89.600118
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -23.295
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -20.473
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: 314
Temperature: 1.050000
Total energy: -280.402350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.402350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.402350 (E_RNA)
where:
Base-Base interactions energy: -200.156
where: short stacking energy: -80.531
Base-Backbone interact. energy: -0.048
local terms energy: -80.198511
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -245.028346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.028346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.028346 (E_RNA)
where:
Base-Base interactions energy: -160.392
where: short stacking energy: -64.529
Base-Backbone interact. energy: -0.566
local terms energy: -84.069544
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -275.637257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.637257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.637257 (E_RNA)
where:
Base-Base interactions energy: -179.796
where: short stacking energy: -77.726
Base-Backbone interact. energy: -0.206
local terms energy: -95.635140
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: -23.444
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: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -207.659386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.659386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.659386 (E_RNA)
where:
Base-Base interactions energy: -130.353
where: short stacking energy: -68.177
Base-Backbone interact. energy: -0.081
local terms energy: -77.225288
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -16.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -94.278537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.278537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.278537 (E_RNA)
where:
Base-Base interactions energy: -36.911
where: short stacking energy: -36.911
Base-Backbone interact. energy: -0.178
local terms energy: -57.189628
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -8.300
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -107.811677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.811677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.811677 (E_RNA)
where:
Base-Base interactions energy: -36.928
where: short stacking energy: -39.028
Base-Backbone interact. energy: -0.089
local terms energy: -70.794618
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -85.519246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.519246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.519246 (E_RNA)
where:
Base-Base interactions energy: -26.397
where: short stacking energy: -26.356
Base-Backbone interact. energy: -0.183
local terms energy: -58.939249
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -294.767164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.767164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.767164 (E_RNA)
where:
Base-Base interactions energy: -198.256
where: short stacking energy: -89.519
Base-Backbone interact. energy: -0.035
local terms energy: -96.476402
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -26.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -288.690560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.690560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.690560 (E_RNA)
where:
Base-Base interactions energy: -201.312
where: short stacking energy: -86.131
Base-Backbone interact. energy: -0.163
local terms energy: -87.215828
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -25.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -292.585268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.585268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.585268 (E_RNA)
where:
Base-Base interactions energy: -199.815
where: short stacking energy: -78.119
Base-Backbone interact. energy: 0.602
local terms energy: -93.373058
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -25.864
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: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -277.514129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.514129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.514129 (E_RNA)
where:
Base-Base interactions energy: -184.459
where: short stacking energy: -71.001
Base-Backbone interact. energy: -0.391
local terms energy: -92.664791
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -11.381
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: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -254.643718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.643718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.643718 (E_RNA)
where:
Base-Base interactions energy: -163.945
where: short stacking energy: -67.459
Base-Backbone interact. energy: -0.042
local terms energy: -90.656652
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -249.270590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.270590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.270590 (E_RNA)
where:
Base-Base interactions energy: -165.744
where: short stacking energy: -73.162
Base-Backbone interact. energy: -0.153
local terms energy: -83.373556
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -20.740
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: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -202.671493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.671493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.671493 (E_RNA)
where:
Base-Base interactions energy: -125.359
where: short stacking energy: -62.201
Base-Backbone interact. energy: -0.376
local terms energy: -76.935957
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -95.365088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.365088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.365088 (E_RNA)
where:
Base-Base interactions energy: -40.538
where: short stacking energy: -28.243
Base-Backbone interact. energy: -0.301
local terms energy: -54.526834
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -85.830863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.830863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.830863 (E_RNA)
where:
Base-Base interactions energy: -28.276
where: short stacking energy: -21.942
Base-Backbone interact. energy: 0.934
local terms energy: -58.489002
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -9.413
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: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -98.510154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.510154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.510154 (E_RNA)
where:
Base-Base interactions energy: -48.155
where: short stacking energy: -27.166
Base-Backbone interact. energy: -0.347
local terms energy: -50.008511
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: 1.565
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: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -289.480143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.480143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.480143 (E_RNA)
where:
Base-Base interactions energy: -192.796
where: short stacking energy: -86.073
Base-Backbone interact. energy: -0.022
local terms energy: -96.662507
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -17.663
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: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -286.415170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.415170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.415170 (E_RNA)
where:
Base-Base interactions energy: -192.105
where: short stacking energy: -87.693
Base-Backbone interact. energy: 0.220
local terms energy: -94.530928
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -24.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -288.882084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.882084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.882084 (E_RNA)
where:
Base-Base interactions energy: -200.910
where: short stacking energy: -80.171
Base-Backbone interact. energy: -0.058
local terms energy: -87.914376
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -26.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -255.887620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.887620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.887620 (E_RNA)
where:
Base-Base interactions energy: -175.858
where: short stacking energy: -74.189
Base-Backbone interact. energy: -0.438
local terms energy: -79.591716
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -15.420
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: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -233.272040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.272040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.272040 (E_RNA)
where:
Base-Base interactions energy: -154.800
where: short stacking energy: -71.428
Base-Backbone interact. energy: 0.739
local terms energy: -79.211725
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -231.870301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.870301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.870301 (E_RNA)
where:
Base-Base interactions energy: -155.167
where: short stacking energy: -71.529
Base-Backbone interact. energy: -0.983
local terms energy: -75.720863
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -217.935266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.935266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.935266 (E_RNA)
where:
Base-Base interactions energy: -135.722
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.175
local terms energy: -82.038182
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -17.037
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: 316
Temperature: 1.250000
Total energy: -102.662370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.662370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.662370 (E_RNA)
where:
Base-Base interactions energy: -41.725
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.023
local terms energy: -60.915071
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -94.560274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.560274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.560274 (E_RNA)
where:
Base-Base interactions energy: -41.712
where: short stacking energy: -23.792
Base-Backbone interact. energy: -0.265
local terms energy: -52.583477
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -90.400064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.400064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.400064 (E_RNA)
where:
Base-Base interactions energy: -34.132
where: short stacking energy: -13.445
Base-Backbone interact. energy: 2.555
local terms energy: -58.822979
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: 7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -292.592687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.592687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.592687 (E_RNA)
where:
Base-Base interactions energy: -189.288
where: short stacking energy: -89.741
Base-Backbone interact. energy: -0.033
local terms energy: -103.272082
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -25.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -291.810044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.810044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.810044 (E_RNA)
where:
Base-Base interactions energy: -200.904
where: short stacking energy: -84.165
Base-Backbone interact. energy: -0.016
local terms energy: -90.890158
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -23.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -284.427342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.427342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.427342 (E_RNA)
where:
Base-Base interactions energy: -195.271
where: short stacking energy: -79.514
Base-Backbone interact. energy: -0.315
local terms energy: -88.840608
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -250.580684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.580684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.580684 (E_RNA)
where:
Base-Base interactions energy: -165.799
where: short stacking energy: -71.197
Base-Backbone interact. energy: -0.201
local terms energy: -84.580566
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -267.891248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.891248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.891248 (E_RNA)
where:
Base-Base interactions energy: -187.672
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.927
local terms energy: -79.291709
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -20.896
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: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -242.031991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.031991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.031991 (E_RNA)
where:
Base-Base interactions energy: -163.585
where: short stacking energy: -76.063
Base-Backbone interact. energy: -0.793
local terms energy: -77.653441
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -208.188875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.188875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.188875 (E_RNA)
where:
Base-Base interactions energy: -137.990
where: short stacking energy: -59.733
Base-Backbone interact. energy: -0.693
local terms energy: -69.505909
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -100.002896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.002896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.002896 (E_RNA)
where:
Base-Base interactions energy: -39.028
where: short stacking energy: -39.028
Base-Backbone interact. energy: -0.072
local terms energy: -60.902871
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -1.857
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -86.996060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.996060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.996060 (E_RNA)
where:
Base-Base interactions energy: -21.861
where: short stacking energy: -21.861
Base-Backbone interact. energy: -0.343
local terms energy: -64.792196
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -88.240613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.240613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.240613 (E_RNA)
where:
Base-Base interactions energy: -38.402
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.721
local terms energy: -49.117974
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: 4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -289.618680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.618680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.618680 (E_RNA)
where:
Base-Base interactions energy: -197.820
where: short stacking energy: -86.808
Base-Backbone interact. energy: -0.049
local terms energy: -91.749062
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -20.575
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: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -290.955118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.955118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.955118 (E_RNA)
where:
Base-Base interactions energy: -197.560
where: short stacking energy: -90.159
Base-Backbone interact. energy: -0.014
local terms energy: -93.380497
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -15.807
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: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -281.404946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.404946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.404946 (E_RNA)
where:
Base-Base interactions energy: -193.596
where: short stacking energy: -82.022
Base-Backbone interact. energy: -0.349
local terms energy: -87.459846
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -6.588
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: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -238.714284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.714284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.714284 (E_RNA)
where:
Base-Base interactions energy: -156.479
where: short stacking energy: -70.342
Base-Backbone interact. energy: -0.333
local terms energy: -81.902751
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -10.724
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: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -272.209449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.209449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.209449 (E_RNA)
where:
Base-Base interactions energy: -190.048
where: short stacking energy: -72.215
Base-Backbone interact. energy: 0.227
local terms energy: -82.388425
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -233.999997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.999997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.999997 (E_RNA)
where:
Base-Base interactions energy: -161.652
where: short stacking energy: -72.229
Base-Backbone interact. energy: -0.031
local terms energy: -72.317788
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -221.092123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.092123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.092123 (E_RNA)
where:
Base-Base interactions energy: -145.108
where: short stacking energy: -61.985
Base-Backbone interact. energy: 2.596
local terms energy: -78.580288
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -93.226800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.226800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.226800 (E_RNA)
where:
Base-Base interactions energy: -26.184
where: short stacking energy: -25.889
Base-Backbone interact. energy: -0.130
local terms energy: -66.912744
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -5.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -93.606190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.606190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.606190 (E_RNA)
where:
Base-Base interactions energy: -32.746
where: short stacking energy: -18.474
Base-Backbone interact. energy: -0.545
local terms energy: -60.314663
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -92.399931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.399931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.399931 (E_RNA)
where:
Base-Base interactions energy: -37.454
where: short stacking energy: -31.093
Base-Backbone interact. energy: 0.496
local terms energy: -55.441821
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: 2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -298.123968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.123968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.123968 (E_RNA)
where:
Base-Base interactions energy: -197.167
where: short stacking energy: -91.220
Base-Backbone interact. energy: -0.009
local terms energy: -100.948064
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -27.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -298.219864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.219864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.219864 (E_RNA)
where:
Base-Base interactions energy: -206.776
where: short stacking energy: -87.741
Base-Backbone interact. energy: -0.097
local terms energy: -91.346307
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -271.254984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.254984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.254984 (E_RNA)
where:
Base-Base interactions energy: -180.142
where: short stacking energy: -76.904
Base-Backbone interact. energy: -0.046
local terms energy: -91.067302
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -14.638
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: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -278.254892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.254892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.254892 (E_RNA)
where:
Base-Base interactions energy: -186.066
where: short stacking energy: -81.872
Base-Backbone interact. energy: -0.011
local terms energy: -92.177572
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -22.448
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: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -235.742135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.742135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.742135 (E_RNA)
where:
Base-Base interactions energy: -154.752
where: short stacking energy: -57.925
Base-Backbone interact. energy: -1.531
local terms energy: -79.458822
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -12.010
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: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -220.536206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.536206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.536206 (E_RNA)
where:
Base-Base interactions energy: -149.433
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.213
local terms energy: -70.889517
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -258.190171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.190171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.190171 (E_RNA)
where:
Base-Base interactions energy: -178.595
where: short stacking energy: -74.841
Base-Backbone interact. energy: -0.026
local terms energy: -79.569105
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -107.450733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.450733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.450733 (E_RNA)
where:
Base-Base interactions energy: -48.260
where: short stacking energy: -42.070
Base-Backbone interact. energy: 0.251
local terms energy: -59.441851
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -87.557562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.557562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.557562 (E_RNA)
where:
Base-Base interactions energy: -22.550
where: short stacking energy: -18.962
Base-Backbone interact. energy: -0.308
local terms energy: -64.699587
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -9.949
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: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -103.725309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.725309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.725309 (E_RNA)
where:
Base-Base interactions energy: -41.253
where: short stacking energy: -24.333
Base-Backbone interact. energy: -0.891
local terms energy: -61.581419
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -298.957579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.957579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.957579 (E_RNA)
where:
Base-Base interactions energy: -204.864
where: short stacking energy: -81.420
Base-Backbone interact. energy: -0.104
local terms energy: -93.989669
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -22.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -290.325122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.325122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.325122 (E_RNA)
where:
Base-Base interactions energy: -197.980
where: short stacking energy: -88.734
Base-Backbone interact. energy: -0.012
local terms energy: -92.333510
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -25.169
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: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -282.183626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.183626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.183626 (E_RNA)
where:
Base-Base interactions energy: -187.299
where: short stacking energy: -79.883
Base-Backbone interact. energy: -0.003
local terms energy: -94.881950
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -24.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -265.776704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.776704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.776704 (E_RNA)
where:
Base-Base interactions energy: -174.765
where: short stacking energy: -69.560
Base-Backbone interact. energy: -0.201
local terms energy: -90.810224
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -16.244
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: 5, replica: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -227.684597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.684597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.684597 (E_RNA)
where:
Base-Base interactions energy: -142.337
where: short stacking energy: -72.800
Base-Backbone interact. energy: -0.310
local terms energy: -85.037486
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -240.944790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.944790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.944790 (E_RNA)
where:
Base-Base interactions energy: -171.533
where: short stacking energy: -69.980
Base-Backbone interact. energy: -0.007
local terms energy: -69.404225
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -2.216
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -254.043952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.043952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.043952 (E_RNA)
where:
Base-Base interactions energy: -169.638
where: short stacking energy: -76.244
Base-Backbone interact. energy: -0.001
local terms energy: -84.404493
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -9.220
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: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -91.646748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.646748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.646748 (E_RNA)
where:
Base-Base interactions energy: -34.414
where: short stacking energy: -28.692
Base-Backbone interact. energy: -0.646
local terms energy: -56.587647
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: 2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -100.014392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.014392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.014392 (E_RNA)
where:
Base-Base interactions energy: -36.395
where: short stacking energy: -36.982
Base-Backbone interact. energy: 0.105
local terms energy: -63.723856
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -105.962579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.962579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.962579 (E_RNA)
where:
Base-Base interactions energy: -37.557
where: short stacking energy: -33.067
Base-Backbone interact. energy: -0.254
local terms energy: -68.151319
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -7.196
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: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -302.173619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.173619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.173619 (E_RNA)
where:
Base-Base interactions energy: -204.623
where: short stacking energy: -82.551
Base-Backbone interact. energy: -0.546
local terms energy: -97.003888
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -288.073547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.073547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.073547 (E_RNA)
where:
Base-Base interactions energy: -203.753
where: short stacking energy: -80.571
Base-Backbone interact. energy: -0.080
local terms energy: -84.239767
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -284.023128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.023128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.023128 (E_RNA)
where:
Base-Base interactions energy: -201.110
where: short stacking energy: -83.600
Base-Backbone interact. energy: -0.071
local terms energy: -82.842111
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -27.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -277.886409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.886409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.886409 (E_RNA)
where:
Base-Base interactions energy: -189.710
where: short stacking energy: -82.004
Base-Backbone interact. energy: -0.004
local terms energy: -88.172499
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -12.687
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: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -232.042907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.042907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.042907 (E_RNA)
where:
Base-Base interactions energy: -143.903
where: short stacking energy: -62.880
Base-Backbone interact. energy: 0.121
local terms energy: -88.260972
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -13.286
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: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -250.373727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.373727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.373727 (E_RNA)
where:
Base-Base interactions energy: -164.029
where: short stacking energy: -75.156
Base-Backbone interact. energy: 1.378
local terms energy: -87.723370
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -227.253409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.253409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.253409 (E_RNA)
where:
Base-Base interactions energy: -154.438
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.354
local terms energy: -72.461752
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -97.040633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.040633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.040633 (E_RNA)
where:
Base-Base interactions energy: -30.856
where: short stacking energy: -24.692
Base-Backbone interact. energy: -0.421
local terms energy: -65.763798
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -4.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -93.721224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.721224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.721224 (E_RNA)
where:
Base-Base interactions energy: -36.511
where: short stacking energy: -21.268
Base-Backbone interact. energy: -0.792
local terms energy: -56.419180
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -83.939590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.939590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.939590 (E_RNA)
where:
Base-Base interactions energy: -25.629
where: short stacking energy: -17.993
Base-Backbone interact. energy: -0.245
local terms energy: -58.064750
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -9.927
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: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -293.676678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.676678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.676678 (E_RNA)
where:
Base-Base interactions energy: -201.397
where: short stacking energy: -90.250
Base-Backbone interact. energy: 0.534
local terms energy: -92.814388
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -23.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -284.973620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.973620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.973620 (E_RNA)
where:
Base-Base interactions energy: -190.221
where: short stacking energy: -87.970
Base-Backbone interact. energy: -0.049
local terms energy: -94.703085
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -26.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -277.727410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.727410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.727410 (E_RNA)
where:
Base-Base interactions energy: -194.919
where: short stacking energy: -74.704
Base-Backbone interact. energy: 0.474
local terms energy: -83.282585
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -248.413545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.413545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.413545 (E_RNA)
where:
Base-Base interactions energy: -166.397
where: short stacking energy: -67.745
Base-Backbone interact. energy: -0.165
local terms energy: -81.851818
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -257.649248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.649248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.649248 (E_RNA)
where:
Base-Base interactions energy: -166.305
where: short stacking energy: -72.395
Base-Backbone interact. energy: 1.190
local terms energy: -92.534233
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -19.519
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -13.434
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: 6, replica: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -219.333525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.333525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.333525 (E_RNA)
where:
Base-Base interactions energy: -143.399
where: short stacking energy: -62.974
Base-Backbone interact. energy: -0.321
local terms energy: -75.613805
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -236.204315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.204315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.204315 (E_RNA)
where:
Base-Base interactions energy: -149.170
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.199
local terms energy: -86.834682
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -17.039
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: 322
Temperature: 1.250000
Total energy: -107.033482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.033482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.033482 (E_RNA)
where:
Base-Base interactions energy: -41.979
where: short stacking energy: -39.561
Base-Backbone interact. energy: -0.315
local terms energy: -64.739142
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -90.108560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.108560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.108560 (E_RNA)
where:
Base-Base interactions energy: -35.246
where: short stacking energy: -33.250
Base-Backbone interact. energy: -0.501
local terms energy: -54.361398
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -1.352
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: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -109.671860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.671860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.671860 (E_RNA)
where:
Base-Base interactions energy: -50.000
where: short stacking energy: -34.632
Base-Backbone interact. energy: -0.249
local terms energy: -59.422013
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -6.559
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: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -296.821435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.821435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.821435 (E_RNA)
where:
Base-Base interactions energy: -197.802
where: short stacking energy: -90.942
Base-Backbone interact. energy: -0.042
local terms energy: -98.978110
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -23.076
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: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -269.024546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.024546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.024546 (E_RNA)
where:
Base-Base interactions energy: -172.763
where: short stacking energy: -77.558
Base-Backbone interact. energy: -0.041
local terms energy: -96.221413
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -25.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -281.310610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.310610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.310610 (E_RNA)
where:
Base-Base interactions energy: -195.176
where: short stacking energy: -81.717
Base-Backbone interact. energy: -0.033
local terms energy: -86.101264
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -27.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -283.701573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.701573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.701573 (E_RNA)
where:
Base-Base interactions energy: -196.773
where: short stacking energy: -81.045
Base-Backbone interact. energy: -0.101
local terms energy: -86.827622
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -24.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -233.989855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.989855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.989855 (E_RNA)
where:
Base-Base interactions energy: -152.918
where: short stacking energy: -72.321
Base-Backbone interact. energy: -0.084
local terms energy: -80.987590
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -246.475408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.475408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.475408 (E_RNA)
where:
Base-Base interactions energy: -159.879
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.149
local terms energy: -86.447787
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -201.536535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.536535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.536535 (E_RNA)
where:
Base-Base interactions energy: -119.801
where: short stacking energy: -52.832
Base-Backbone interact. energy: 0.550
local terms energy: -82.286041
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -115.368497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.368497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.368497 (E_RNA)
where:
Base-Base interactions energy: -42.405
where: short stacking energy: -37.879
Base-Backbone interact. energy: -0.078
local terms energy: -72.884781
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -10.304
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: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -91.418104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.418104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.418104 (E_RNA)
where:
Base-Base interactions energy: -27.504
where: short stacking energy: -27.504
Base-Backbone interact. energy: -0.210
local terms energy: -63.704557
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: 0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -92.729453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.729453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.729453 (E_RNA)
where:
Base-Base interactions energy: -38.655
where: short stacking energy: -29.119
Base-Backbone interact. energy: -0.173
local terms energy: -53.901186
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -291.439728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.439728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.439728 (E_RNA)
where:
Base-Base interactions energy: -193.444
where: short stacking energy: -92.109
Base-Backbone interact. energy: -0.038
local terms energy: -97.957368
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -26.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -287.128553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.128553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.128553 (E_RNA)
where:
Base-Base interactions energy: -191.874
where: short stacking energy: -88.410
Base-Backbone interact. energy: -0.186
local terms energy: -95.069382
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -25.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -282.408166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.408166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.408166 (E_RNA)
where:
Base-Base interactions energy: -196.636
where: short stacking energy: -82.601
Base-Backbone interact. energy: -0.146
local terms energy: -85.626364
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -280.458051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.458051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.458051 (E_RNA)
where:
Base-Base interactions energy: -185.641
where: short stacking energy: -84.055
Base-Backbone interact. energy: -0.122
local terms energy: -94.695145
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -15.162
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: 5, replica: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -269.607666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.607666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.607666 (E_RNA)
where:
Base-Base interactions energy: -179.533
where: short stacking energy: -72.208
Base-Backbone interact. energy: -0.322
local terms energy: -89.752645
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -245.213351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.213351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.213351 (E_RNA)
where:
Base-Base interactions energy: -168.495
where: short stacking energy: -73.782
Base-Backbone interact. energy: -0.140
local terms energy: -76.578005
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -183.306687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.306687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.306687 (E_RNA)
where:
Base-Base interactions energy: -112.864
where: short stacking energy: -47.053
Base-Backbone interact. energy: 0.641
local terms energy: -71.084101
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -122.289911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.289911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.289911 (E_RNA)
where:
Base-Base interactions energy: -66.620
where: short stacking energy: -28.495
Base-Backbone interact. energy: -0.320
local terms energy: -55.350186
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -3.656
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: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -100.719987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.719987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.719987 (E_RNA)
where:
Base-Base interactions energy: -44.080
where: short stacking energy: -30.087
Base-Backbone interact. energy: -0.416
local terms energy: -56.223320
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -87.906888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.906888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.906888 (E_RNA)
where:
Base-Base interactions energy: -24.546
where: short stacking energy: -24.922
Base-Backbone interact. energy: -0.235
local terms energy: -63.126816
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -291.294270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.294270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.294270 (E_RNA)
where:
Base-Base interactions energy: -191.939
where: short stacking energy: -97.072
Base-Backbone interact. energy: -0.579
local terms energy: -98.776195
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -11.712
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: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -294.173682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.173682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.173682 (E_RNA)
where:
Base-Base interactions energy: -194.616
where: short stacking energy: -82.259
Base-Backbone interact. energy: -0.087
local terms energy: -99.471487
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -26.391
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: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -279.528456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.528456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.528456 (E_RNA)
where:
Base-Base interactions energy: -180.779
where: short stacking energy: -84.662
Base-Backbone interact. energy: -0.216
local terms energy: -98.533203
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -15.913
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: 4, replica: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -275.723738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.723738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.723738 (E_RNA)
where:
Base-Base interactions energy: -180.946
where: short stacking energy: -77.902
Base-Backbone interact. energy: -0.155
local terms energy: -94.621767
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -14.408
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: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -279.944735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.944735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.944735 (E_RNA)
where:
Base-Base interactions energy: -185.047
where: short stacking energy: -77.238
Base-Backbone interact. energy: -0.110
local terms energy: -94.787773
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -11.794
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: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -239.346831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.346831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.346831 (E_RNA)
where:
Base-Base interactions energy: -168.094
where: short stacking energy: -79.105
Base-Backbone interact. energy: -0.002
local terms energy: -71.251105
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -150.958224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.958224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.958224 (E_RNA)
where:
Base-Base interactions energy: -83.955
where: short stacking energy: -48.140
Base-Backbone interact. energy: -0.031
local terms energy: -66.972248
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -8.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -138.821354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.821354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.821354 (E_RNA)
where:
Base-Base interactions energy: -78.993
where: short stacking energy: -39.726
Base-Backbone interact. energy: -0.033
local terms energy: -59.795323
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -18.764
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -152.056474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.056474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.056474 (E_RNA)
where:
Base-Base interactions energy: -89.171
where: short stacking energy: -43.446
Base-Backbone interact. energy: -0.251
local terms energy: -62.634420
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -89.094414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.094414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.094414 (E_RNA)
where:
Base-Base interactions energy: -49.055
where: short stacking energy: -29.327
Base-Backbone interact. energy: 4.161
local terms energy: -44.200469
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: 2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -300.958530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.958530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.958530 (E_RNA)
where:
Base-Base interactions energy: -206.241
where: short stacking energy: -91.399
Base-Backbone interact. energy: -0.071
local terms energy: -94.646650
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -12.972
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: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -290.530813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.530813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.530813 (E_RNA)
where:
Base-Base interactions energy: -190.010
where: short stacking energy: -86.000
Base-Backbone interact. energy: -1.182
local terms energy: -99.339621
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -28.119
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: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -277.456156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.456156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.456156 (E_RNA)
where:
Base-Base interactions energy: -184.762
where: short stacking energy: -82.092
Base-Backbone interact. energy: -0.007
local terms energy: -92.687186
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -25.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -277.122608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.122608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.122608 (E_RNA)
where:
Base-Base interactions energy: -185.310
where: short stacking energy: -85.904
Base-Backbone interact. energy: -0.012
local terms energy: -91.800589
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -14.149
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: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -255.812369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.812369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.812369 (E_RNA)
where:
Base-Base interactions energy: -159.331
where: short stacking energy: -74.684
Base-Backbone interact. energy: -0.130
local terms energy: -96.351248
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -257.062906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.062906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.062906 (E_RNA)
where:
Base-Base interactions energy: -178.411
where: short stacking energy: -74.523
Base-Backbone interact. energy: -0.960
local terms energy: -77.691522
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -8.990
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: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -158.538301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.538301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.538301 (E_RNA)
where:
Base-Base interactions energy: -87.310
where: short stacking energy: -49.897
Base-Backbone interact. energy: -0.300
local terms energy: -70.928222
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -165.977937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.977937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.977937 (E_RNA)
where:
Base-Base interactions energy: -101.550
where: short stacking energy: -37.513
Base-Backbone interact. energy: -0.290
local terms energy: -64.138320
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -88.843723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.843723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.843723 (E_RNA)
where:
Base-Base interactions energy: -35.944
where: short stacking energy: -25.678
Base-Backbone interact. energy: 1.195
local terms energy: -54.095130
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -95.668604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.668604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.668604 (E_RNA)
where:
Base-Base interactions energy: -44.707
where: short stacking energy: -33.807
Base-Backbone interact. energy: -0.073
local terms energy: -50.888247
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -10.275
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -305.695813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.695813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.695813 (E_RNA)
where:
Base-Base interactions energy: -206.642
where: short stacking energy: -88.850
Base-Backbone interact. energy: -0.011
local terms energy: -99.043372
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -285.826713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.826713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.826713 (E_RNA)
where:
Base-Base interactions energy: -188.215
where: short stacking energy: -84.417
Base-Backbone interact. energy: -0.189
local terms energy: -97.423052
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -24.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -291.221446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.221446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.221446 (E_RNA)
where:
Base-Base interactions energy: -198.309
where: short stacking energy: -83.252
Base-Backbone interact. energy: -0.104
local terms energy: -92.808429
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -262.919665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.919665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.919665 (E_RNA)
where:
Base-Base interactions energy: -170.691
where: short stacking energy: -75.285
Base-Backbone interact. energy: -0.053
local terms energy: -92.175006
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -267.335103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.335103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.335103 (E_RNA)
where:
Base-Base interactions energy: -188.848
where: short stacking energy: -81.787
Base-Backbone interact. energy: -0.036
local terms energy: -78.450829
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -1.391
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: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -242.647460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.647460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.647460 (E_RNA)
where:
Base-Base interactions energy: -166.956
where: short stacking energy: -66.141
Base-Backbone interact. energy: -0.134
local terms energy: -75.557074
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -9.239
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -146.704832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.704832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.704832 (E_RNA)
where:
Base-Base interactions energy: -70.889
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.728
local terms energy: -75.087718
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -121.511842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.511842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.511842 (E_RNA)
where:
Base-Base interactions energy: -69.776
where: short stacking energy: -33.106
Base-Backbone interact. energy: 1.856
local terms energy: -53.592643
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -150.343118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.343118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.343118 (E_RNA)
where:
Base-Base interactions energy: -96.870
where: short stacking energy: -54.610
Base-Backbone interact. energy: 0.070
local terms energy: -53.543692
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -6.708
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -6.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -84.282772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.282772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.282772 (E_RNA)
where:
Base-Base interactions energy: -26.315
where: short stacking energy: -22.653
Base-Backbone interact. energy: -1.367
local terms energy: -56.600431
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -290.981779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.981779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.981779 (E_RNA)
where:
Base-Base interactions energy: -185.124
where: short stacking energy: -83.181
Base-Backbone interact. energy: -0.055
local terms energy: -105.803086
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -29.455
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: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -300.983333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.983333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.983333 (E_RNA)
where:
Base-Base interactions energy: -208.346
where: short stacking energy: -90.902
Base-Backbone interact. energy: -0.096
local terms energy: -92.540591
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -22.880
flat angles P-C4'-P energy: -10.909
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: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -280.365900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.365900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.365900 (E_RNA)
where:
Base-Base interactions energy: -191.453
where: short stacking energy: -76.144
Base-Backbone interact. energy: 1.588
local terms energy: -90.500338
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -276.171160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.171160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.171160 (E_RNA)
where:
Base-Base interactions energy: -186.169
where: short stacking energy: -71.839
Base-Backbone interact. energy: -0.270
local terms energy: -89.731704
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -13.363
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: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -265.957368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.957368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.957368 (E_RNA)
where:
Base-Base interactions energy: -176.899
where: short stacking energy: -73.160
Base-Backbone interact. energy: -0.634
local terms energy: -88.424444
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -16.161
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: 328
Temperature: 1.150000
Total energy: -241.578901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.578901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.578901 (E_RNA)
where:
Base-Base interactions energy: -153.067
where: short stacking energy: -73.284
Base-Backbone interact. energy: -0.181
local terms energy: -88.330913
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -21.755
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: 328
Temperature: 1.200000
Total energy: -121.470372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.470372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.470372 (E_RNA)
where:
Base-Base interactions energy: -64.256
where: short stacking energy: -45.794
Base-Backbone interact. energy: -0.755
local terms energy: -56.458542
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -104.748012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.748012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.748012 (E_RNA)
where:
Base-Base interactions energy: -58.774
where: short stacking energy: -19.649
Base-Backbone interact. energy: -0.633
local terms energy: -45.340965
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: 1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -95.312026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.312026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.312026 (E_RNA)
where:
Base-Base interactions energy: -32.694
where: short stacking energy: -31.951
Base-Backbone interact. energy: -0.066
local terms energy: -62.551838
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -89.032716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.032716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.032716 (E_RNA)
where:
Base-Base interactions energy: -37.444
where: short stacking energy: -35.339
Base-Backbone interact. energy: -0.017
local terms energy: -51.572320
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -6.836
flat angles P-C4'-P energy: -5.755
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: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -298.742962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.742962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.742962 (E_RNA)
where:
Base-Base interactions energy: -198.139
where: short stacking energy: -88.398
Base-Backbone interact. energy: -0.079
local terms energy: -100.525493
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: -24.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -292.248361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.248361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.248361 (E_RNA)
where:
Base-Base interactions energy: -201.334
where: short stacking energy: -86.041
Base-Backbone interact. energy: -0.071
local terms energy: -90.843350
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -279.311305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.311305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.311305 (E_RNA)
where:
Base-Base interactions energy: -195.570
where: short stacking energy: -78.247
Base-Backbone interact. energy: -0.058
local terms energy: -83.683514
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -22.402
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: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -278.573429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.573429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.573429 (E_RNA)
where:
Base-Base interactions energy: -185.248
where: short stacking energy: -80.892
Base-Backbone interact. energy: -0.003
local terms energy: -93.322914
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -26.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -284.010038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.010038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.010038 (E_RNA)
where:
Base-Base interactions energy: -204.326
where: short stacking energy: -82.776
Base-Backbone interact. energy: -0.014
local terms energy: -79.670779
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -22.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -255.484321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.484321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.484321 (E_RNA)
where:
Base-Base interactions energy: -178.822
where: short stacking energy: -69.868
Base-Backbone interact. energy: -0.136
local terms energy: -76.526409
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -133.226256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.226256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.226256 (E_RNA)
where:
Base-Base interactions energy: -69.512
where: short stacking energy: -39.815
Base-Backbone interact. energy: -0.117
local terms energy: -63.597439
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -93.741747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.741747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.741747 (E_RNA)
where:
Base-Base interactions energy: -26.501
where: short stacking energy: -25.524
Base-Backbone interact. energy: 0.666
local terms energy: -67.906889
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -95.374079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.374079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.374079 (E_RNA)
where:
Base-Base interactions energy: -48.252
where: short stacking energy: -24.276
Base-Backbone interact. energy: -0.117
local terms energy: -47.005082
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -6.595
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: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -94.395157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.395157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.395157 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -31.546
Base-Backbone interact. energy: -0.130
local terms energy: -59.684268
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -290.945590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.945590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.945590 (E_RNA)
where:
Base-Base interactions energy: -195.619
where: short stacking energy: -83.135
Base-Backbone interact. energy: -0.016
local terms energy: -95.310629
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -11.163
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: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -292.716940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.716940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.716940 (E_RNA)
where:
Base-Base interactions energy: -189.680
where: short stacking energy: -93.401
Base-Backbone interact. energy: -0.011
local terms energy: -103.026090
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -27.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -293.717262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.717262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.717262 (E_RNA)
where:
Base-Base interactions energy: -201.052
where: short stacking energy: -79.708
Base-Backbone interact. energy: -0.336
local terms energy: -92.328796
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -20.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -276.191546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.191546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.191546 (E_RNA)
where:
Base-Base interactions energy: -188.495
where: short stacking energy: -76.286
Base-Backbone interact. energy: 0.433
local terms energy: -88.128816
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -282.383771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.383771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.383771 (E_RNA)
where:
Base-Base interactions energy: -184.072
where: short stacking energy: -87.006
Base-Backbone interact. energy: -0.097
local terms energy: -98.214433
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -25.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -244.269791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.269791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.269791 (E_RNA)
where:
Base-Base interactions energy: -170.703
where: short stacking energy: -69.156
Base-Backbone interact. energy: -0.148
local terms energy: -73.418971
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -131.577361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.577361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.577361 (E_RNA)
where:
Base-Base interactions energy: -62.911
where: short stacking energy: -43.168
Base-Backbone interact. energy: -0.128
local terms energy: -68.538214
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -103.496175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.496175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.496175 (E_RNA)
where:
Base-Base interactions energy: -48.249
where: short stacking energy: -32.150
Base-Backbone interact. energy: 1.710
local terms energy: -56.957622
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -10.003
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: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -89.954921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.954921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.954921 (E_RNA)
where:
Base-Base interactions energy: -30.078
where: short stacking energy: -29.041
Base-Backbone interact. energy: -1.549
local terms energy: -58.327421
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -83.987992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.987992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987992 (E_RNA)
where:
Base-Base interactions energy: -37.243
where: short stacking energy: -20.176
Base-Backbone interact. energy: 1.928
local terms energy: -48.672274
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -292.961577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.961577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.961577 (E_RNA)
where:
Base-Base interactions energy: -208.647
where: short stacking energy: -77.868
Base-Backbone interact. energy: -0.008
local terms energy: -84.306912
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -25.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -288.386305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.386305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.386305 (E_RNA)
where:
Base-Base interactions energy: -195.435
where: short stacking energy: -80.799
Base-Backbone interact. energy: -0.066
local terms energy: -92.885002
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -24.295
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: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -281.523851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.523851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.523851 (E_RNA)
where:
Base-Base interactions energy: -190.214
where: short stacking energy: -81.403
Base-Backbone interact. energy: -0.026
local terms energy: -91.283441
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -15.571
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: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -272.465855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.465855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.465855 (E_RNA)
where:
Base-Base interactions energy: -187.111
where: short stacking energy: -74.303
Base-Backbone interact. energy: -0.949
local terms energy: -84.405282
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -14.159
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: 5, replica: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -248.681117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.681117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.681117 (E_RNA)
where:
Base-Base interactions energy: -164.111
where: short stacking energy: -73.737
Base-Backbone interact. energy: -0.024
local terms energy: -84.545565
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -271.178724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.178724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.178724 (E_RNA)
where:
Base-Base interactions energy: -189.524
where: short stacking energy: -75.585
Base-Backbone interact. energy: -0.004
local terms energy: -81.651705
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -5.669
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: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -155.375707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.375707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.375707 (E_RNA)
where:
Base-Base interactions energy: -88.504
where: short stacking energy: -47.413
Base-Backbone interact. energy: -0.292
local terms energy: -66.580344
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -12.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -99.645993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.645993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.645993 (E_RNA)
where:
Base-Base interactions energy: -46.695
where: short stacking energy: -32.081
Base-Backbone interact. energy: 0.143
local terms energy: -53.093161
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: 2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -94.919076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.919076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.919076 (E_RNA)
where:
Base-Base interactions energy: -35.348
where: short stacking energy: -31.102
Base-Backbone interact. energy: -0.358
local terms energy: -59.213030
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -5.051
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: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -94.038615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.038615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.038615 (E_RNA)
where:
Base-Base interactions energy: -32.818
where: short stacking energy: -27.006
Base-Backbone interact. energy: -0.487
local terms energy: -60.733414
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: 1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -294.700851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.700851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.700851 (E_RNA)
where:
Base-Base interactions energy: -195.339
where: short stacking energy: -91.654
Base-Backbone interact. energy: -0.038
local terms energy: -99.323469
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -26.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -290.391311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.391311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.391311 (E_RNA)
where:
Base-Base interactions energy: -198.587
where: short stacking energy: -88.737
Base-Backbone interact. energy: -0.014
local terms energy: -91.789881
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -294.314323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.314323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.314323 (E_RNA)
where:
Base-Base interactions energy: -205.296
where: short stacking energy: -87.060
Base-Backbone interact. energy: -0.104
local terms energy: -88.914246
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -26.891
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: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -279.991276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.991276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.991276 (E_RNA)
where:
Base-Base interactions energy: -189.051
where: short stacking energy: -83.294
Base-Backbone interact. energy: -0.153
local terms energy: -90.786690
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -23.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -272.449013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.449013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.449013 (E_RNA)
where:
Base-Base interactions energy: -196.601
where: short stacking energy: -83.480
Base-Backbone interact. energy: -0.201
local terms energy: -75.646555
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -244.556969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.556969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.556969 (E_RNA)
where:
Base-Base interactions energy: -169.835
where: short stacking energy: -75.284
Base-Backbone interact. energy: -0.058
local terms energy: -74.663826
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -8.896
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: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -214.112290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.112290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.112290 (E_RNA)
where:
Base-Base interactions energy: -137.056
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.190
local terms energy: -76.865617
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -94.878281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.878281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.878281 (E_RNA)
where:
Base-Base interactions energy: -30.868
where: short stacking energy: -29.384
Base-Backbone interact. energy: 1.286
local terms energy: -65.296151
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -90.378546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.378546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.378546 (E_RNA)
where:
Base-Base interactions energy: -19.694
where: short stacking energy: -15.831
Base-Backbone interact. energy: -0.192
local terms energy: -70.492241
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -0.893
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: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -82.905780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.905780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.905780 (E_RNA)
where:
Base-Base interactions energy: -35.386
where: short stacking energy: -33.577
Base-Backbone interact. energy: 1.979
local terms energy: -49.499272
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -302.166123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.166123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.166123 (E_RNA)
where:
Base-Base interactions energy: -206.478
where: short stacking energy: -87.566
Base-Backbone interact. energy: -0.079
local terms energy: -95.609191
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -27.631
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: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -290.392232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.392232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.392232 (E_RNA)
where:
Base-Base interactions energy: -199.329
where: short stacking energy: -85.791
Base-Backbone interact. energy: -0.670
local terms energy: -90.393697
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -264.113651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.113651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.113651 (E_RNA)
where:
Base-Base interactions energy: -179.170
where: short stacking energy: -76.273
Base-Backbone interact. energy: -0.079
local terms energy: -84.864194
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -7.400
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: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -268.984579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.984579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.984579 (E_RNA)
where:
Base-Base interactions energy: -184.673
where: short stacking energy: -82.025
Base-Backbone interact. energy: 0.045
local terms energy: -84.355793
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -13.819
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: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -273.039011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.039011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.039011 (E_RNA)
where:
Base-Base interactions energy: -188.102
where: short stacking energy: -81.625
Base-Backbone interact. energy: -0.078
local terms energy: -84.858832
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -233.892082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.892082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.892082 (E_RNA)
where:
Base-Base interactions energy: -145.154
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.160
local terms energy: -88.578221
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -19.551
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: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -216.156326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.156326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.156326 (E_RNA)
where:
Base-Base interactions energy: -144.834
where: short stacking energy: -56.762
Base-Backbone interact. energy: -0.064
local terms energy: -71.258795
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -12.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -100.527949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.527949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.527949 (E_RNA)
where:
Base-Base interactions energy: -39.096
where: short stacking energy: -32.494
Base-Backbone interact. energy: -0.692
local terms energy: -60.740177
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -91.759026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.759026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.759026 (E_RNA)
where:
Base-Base interactions energy: -38.965
where: short stacking energy: -22.140
Base-Backbone interact. energy: -0.255
local terms energy: -52.539060
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: 3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -91.493060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.493060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.493060 (E_RNA)
where:
Base-Base interactions energy: -31.421
where: short stacking energy: -26.518
Base-Backbone interact. energy: 0.414
local terms energy: -60.485938
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -300.294493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.294493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.294493 (E_RNA)
where:
Base-Base interactions energy: -198.518
where: short stacking energy: -90.367
Base-Backbone interact. energy: -0.133
local terms energy: -101.643206
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -19.354
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -28.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -295.052654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.052654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.052654 (E_RNA)
where:
Base-Base interactions energy: -196.936
where: short stacking energy: -85.365
Base-Backbone interact. energy: 0.687
local terms energy: -98.804395
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -27.139
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: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -273.698854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.698854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.698854 (E_RNA)
where:
Base-Base interactions energy: -179.376
where: short stacking energy: -82.161
Base-Backbone interact. energy: -0.104
local terms energy: -94.218560
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -24.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -279.364631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.364631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.364631 (E_RNA)
where:
Base-Base interactions energy: -192.688
where: short stacking energy: -73.908
Base-Backbone interact. energy: 1.205
local terms energy: -87.881620
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -23.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -266.912136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.912136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.912136 (E_RNA)
where:
Base-Base interactions energy: -194.376
where: short stacking energy: -84.552
Base-Backbone interact. energy: -0.149
local terms energy: -72.387011
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -22.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -236.074779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.074779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.074779 (E_RNA)
where:
Base-Base interactions energy: -152.012
where: short stacking energy: -72.723
Base-Backbone interact. energy: -0.103
local terms energy: -83.960619
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -24.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -210.180250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.180250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.180250 (E_RNA)
where:
Base-Base interactions energy: -133.984
where: short stacking energy: -52.370
Base-Backbone interact. energy: -1.897
local terms energy: -74.299732
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -104.103533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.103533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.103533 (E_RNA)
where:
Base-Base interactions energy: -35.352
where: short stacking energy: -26.559
Base-Backbone interact. energy: -0.303
local terms energy: -68.448494
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -85.552905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.552905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.552905 (E_RNA)
where:
Base-Base interactions energy: -26.818
where: short stacking energy: -28.618
Base-Backbone interact. energy: 0.211
local terms energy: -58.945784
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -1.862
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: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -89.282534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.282534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.282534 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -24.759
Base-Backbone interact. energy: -1.503
local terms energy: -54.365263
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: 1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -305.064414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.064414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.064414 (E_RNA)
where:
Base-Base interactions energy: -206.399
where: short stacking energy: -86.805
Base-Backbone interact. energy: -0.090
local terms energy: -98.575528
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -27.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -285.830244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.830244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.830244 (E_RNA)
where:
Base-Base interactions energy: -206.860
where: short stacking energy: -70.838
Base-Backbone interact. energy: -0.325
local terms energy: -78.644865
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -285.739366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.739366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.739366 (E_RNA)
where:
Base-Base interactions energy: -196.699
where: short stacking energy: -84.208
Base-Backbone interact. energy: -0.255
local terms energy: -88.785360
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -271.321479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.321479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.321479 (E_RNA)
where:
Base-Base interactions energy: -179.792
where: short stacking energy: -75.214
Base-Backbone interact. energy: -0.041
local terms energy: -91.488292
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -11.272
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: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -276.758532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.758532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.758532 (E_RNA)
where:
Base-Base interactions energy: -184.085
where: short stacking energy: -84.262
Base-Backbone interact. energy: -0.147
local terms energy: -92.525761
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -24.361
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: 335
Temperature: 1.150000
Total energy: -241.550440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.550440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.550440 (E_RNA)
where:
Base-Base interactions energy: -158.740
where: short stacking energy: -60.376
Base-Backbone interact. energy: -0.128
local terms energy: -82.682341
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -13.756
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: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -211.703472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.703472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.703472 (E_RNA)
where:
Base-Base interactions energy: -140.765
where: short stacking energy: -63.253
Base-Backbone interact. energy: 2.471
local terms energy: -73.409792
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -18.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -95.351600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.351600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.351600 (E_RNA)
where:
Base-Base interactions energy: -35.617
where: short stacking energy: -31.172
Base-Backbone interact. energy: -0.180
local terms energy: -59.554220
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: 2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -105.209900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.209900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.209900 (E_RNA)
where:
Base-Base interactions energy: -69.151
where: short stacking energy: -37.207
Base-Backbone interact. energy: -0.074
local terms energy: -35.984299
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -6.764
flat angles P-C4'-P energy: -0.955
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -88.690069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.690069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.690069 (E_RNA)
where:
Base-Base interactions energy: -33.567
where: short stacking energy: -29.608
Base-Backbone interact. energy: -0.062
local terms energy: -55.060677
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: 1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -300.889587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.889587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.889587 (E_RNA)
where:
Base-Base interactions energy: -200.502
where: short stacking energy: -81.581
Base-Backbone interact. energy: -0.090
local terms energy: -100.297444
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -28.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -265.936740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.936740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.936740 (E_RNA)
where:
Base-Base interactions energy: -180.727
where: short stacking energy: -82.495
Base-Backbone interact. energy: -0.017
local terms energy: -85.192984
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -278.649253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.649253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.649253 (E_RNA)
where:
Base-Base interactions energy: -188.822
where: short stacking energy: -75.237
Base-Backbone interact. energy: -0.210
local terms energy: -89.617182
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -11.366
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: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -271.677956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.677956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.677956 (E_RNA)
where:
Base-Base interactions energy: -184.818
where: short stacking energy: -81.491
Base-Backbone interact. energy: -0.092
local terms energy: -86.768316
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -267.719639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.719639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.719639 (E_RNA)
where:
Base-Base interactions energy: -178.272
where: short stacking energy: -81.992
Base-Backbone interact. energy: -0.141
local terms energy: -89.306613
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -16.461
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: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -263.226082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.226082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.226082 (E_RNA)
where:
Base-Base interactions energy: -173.520
where: short stacking energy: -75.562
Base-Backbone interact. energy: -0.029
local terms energy: -89.676945
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -203.879927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.879927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.879927 (E_RNA)
where:
Base-Base interactions energy: -137.694
where: short stacking energy: -53.775
Base-Backbone interact. energy: 1.532
local terms energy: -67.717618
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -16.497
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: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -95.182765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.182765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.182765 (E_RNA)
where:
Base-Base interactions energy: -35.566
where: short stacking energy: -35.372
Base-Backbone interact. energy: -0.360
local terms energy: -59.256533
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -6.774
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: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -95.661954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.661954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.661954 (E_RNA)
where:
Base-Base interactions energy: -36.948
where: short stacking energy: -20.867
Base-Backbone interact. energy: -0.240
local terms energy: -58.473815
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -15.220
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: 10, replica: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -87.739473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.739473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.739473 (E_RNA)
where:
Base-Base interactions energy: -25.152
where: short stacking energy: -20.113
Base-Backbone interact. energy: -0.100
local terms energy: -62.486591
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -4.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -293.535843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.535843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.535843 (E_RNA)
where:
Base-Base interactions energy: -197.056
where: short stacking energy: -77.091
Base-Backbone interact. energy: -0.357
local terms energy: -96.122631
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -24.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -274.303072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.303072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.303072 (E_RNA)
where:
Base-Base interactions energy: -188.201
where: short stacking energy: -89.540
Base-Backbone interact. energy: -0.279
local terms energy: -85.823720
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -278.652327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.652327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.652327 (E_RNA)
where:
Base-Base interactions energy: -182.487
where: short stacking energy: -87.389
Base-Backbone interact. energy: -0.875
local terms energy: -95.290529
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -28.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -265.687476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.687476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.687476 (E_RNA)
where:
Base-Base interactions energy: -174.887
where: short stacking energy: -83.549
Base-Backbone interact. energy: -0.118
local terms energy: -90.682482
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -22.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -260.427189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.427189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.427189 (E_RNA)
where:
Base-Base interactions energy: -175.354
where: short stacking energy: -72.647
Base-Backbone interact. energy: -0.188
local terms energy: -84.884720
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -200.900929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.900929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.900929 (E_RNA)
where:
Base-Base interactions energy: -127.874
where: short stacking energy: -49.346
Base-Backbone interact. energy: -0.249
local terms energy: -72.778120
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -11.634
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: 337
Temperature: 1.200000
Total energy: -246.075540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.075540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.075540 (E_RNA)
where:
Base-Base interactions energy: -157.739
where: short stacking energy: -74.744
Base-Backbone interact. energy: -0.008
local terms energy: -88.328297
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -12.183
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: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -194.648437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.648437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.648437 (E_RNA)
where:
Base-Base interactions energy: -128.490
where: short stacking energy: -59.048
Base-Backbone interact. energy: -0.022
local terms energy: -66.137032
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -14.389
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: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -97.007677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.007677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.007677 (E_RNA)
where:
Base-Base interactions energy: -31.583
where: short stacking energy: -18.542
Base-Backbone interact. energy: -2.569
local terms energy: -62.855169
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -6.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -91.544016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.544016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.544016 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -28.288
Base-Backbone interact. energy: -1.088
local terms energy: -54.580158
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -295.584214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.584214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.584214 (E_RNA)
where:
Base-Base interactions energy: -203.472
where: short stacking energy: -91.006
Base-Backbone interact. energy: -0.580
local terms energy: -91.532209
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -26.567
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: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -284.478079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.478079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.478079 (E_RNA)
where:
Base-Base interactions energy: -183.710
where: short stacking energy: -87.410
Base-Backbone interact. energy: -0.128
local terms energy: -100.639387
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -12.238
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: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -283.625737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.625737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.625737 (E_RNA)
where:
Base-Base interactions energy: -194.571
where: short stacking energy: -91.941
Base-Backbone interact. energy: -0.491
local terms energy: -88.563554
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -29.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -278.382242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.382242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.382242 (E_RNA)
where:
Base-Base interactions energy: -190.655
where: short stacking energy: -95.319
Base-Backbone interact. energy: 1.004
local terms energy: -88.730961
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -11.416
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: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -217.774282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.774282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.774282 (E_RNA)
where:
Base-Base interactions energy: -142.695
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.146
local terms energy: -74.932359
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -238.567481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.567481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.567481 (E_RNA)
where:
Base-Base interactions energy: -162.204
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.711
local terms energy: -75.652061
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -13.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -227.950035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.950035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.950035 (E_RNA)
where:
Base-Base interactions energy: -150.450
where: short stacking energy: -63.719
Base-Backbone interact. energy: -0.102
local terms energy: -77.397615
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -221.413618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.413618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.413618 (E_RNA)
where:
Base-Base interactions energy: -145.688
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.401
local terms energy: -75.324015
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -13.321
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: 9, replica: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -98.412239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.412239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.412239 (E_RNA)
where:
Base-Base interactions energy: -47.246
where: short stacking energy: -17.288
Base-Backbone interact. energy: -0.071
local terms energy: -51.094804
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: 0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -82.588582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.588582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.588582 (E_RNA)
where:
Base-Base interactions energy: -30.237
where: short stacking energy: -27.054
Base-Backbone interact. energy: 0.110
local terms energy: -52.461399
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -299.951497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.951497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.951497 (E_RNA)
where:
Base-Base interactions energy: -208.646
where: short stacking energy: -89.088
Base-Backbone interact. energy: -0.071
local terms energy: -91.234770
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -26.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -286.623311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.623311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.623311 (E_RNA)
where:
Base-Base interactions energy: -191.595
where: short stacking energy: -92.881
Base-Backbone interact. energy: -0.466
local terms energy: -94.562279
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -27.672
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: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -269.588247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.588247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.588247 (E_RNA)
where:
Base-Base interactions energy: -190.291
where: short stacking energy: -76.719
Base-Backbone interact. energy: -0.478
local terms energy: -78.819130
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -10.849
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: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -271.297100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.297100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.297100 (E_RNA)
where:
Base-Base interactions energy: -178.126
where: short stacking energy: -84.524
Base-Backbone interact. energy: -1.011
local terms energy: -92.159735
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -26.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -216.470064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.470064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.470064 (E_RNA)
where:
Base-Base interactions energy: -127.955
where: short stacking energy: -52.831
Base-Backbone interact. energy: -0.661
local terms energy: -87.853944
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -255.413160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.413160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.413160 (E_RNA)
where:
Base-Base interactions energy: -182.254
where: short stacking energy: -71.165
Base-Backbone interact. energy: -0.109
local terms energy: -73.050848
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -2.528
tors. eta vs tors. theta energy: -19.411
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: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -237.752719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.752719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.752719 (E_RNA)
where:
Base-Base interactions energy: -152.801
where: short stacking energy: -77.523
Base-Backbone interact. energy: -0.085
local terms energy: -84.867002
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -15.283
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: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -216.596657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.596657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.596657 (E_RNA)
where:
Base-Base interactions energy: -142.813
where: short stacking energy: -69.295
Base-Backbone interact. energy: -0.129
local terms energy: -73.654592
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -93.335638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.335638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.335638 (E_RNA)
where:
Base-Base interactions energy: -28.711
where: short stacking energy: -27.670
Base-Backbone interact. energy: -0.311
local terms energy: -64.312823
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -0.384
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: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -92.301269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.301269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.301269 (E_RNA)
where:
Base-Base interactions energy: -30.226
where: short stacking energy: -22.782
Base-Backbone interact. energy: -0.328
local terms energy: -61.746782
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -291.113585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.113585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.113585 (E_RNA)
where:
Base-Base interactions energy: -199.185
where: short stacking energy: -77.798
Base-Backbone interact. energy: -0.120
local terms energy: -91.808114
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -24.354
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: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -278.815842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.815842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.815842 (E_RNA)
where:
Base-Base interactions energy: -181.649
where: short stacking energy: -85.827
Base-Backbone interact. energy: -0.242
local terms energy: -96.924679
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -12.736
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: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -286.369595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.369595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.369595 (E_RNA)
where:
Base-Base interactions energy: -192.604
where: short stacking energy: -87.274
Base-Backbone interact. energy: -0.004
local terms energy: -93.761847
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -26.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -283.323955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.323955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.323955 (E_RNA)
where:
Base-Base interactions energy: -193.941
where: short stacking energy: -78.003
Base-Backbone interact. energy: -0.061
local terms energy: -89.321633
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -262.849458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.849458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.849458 (E_RNA)
where:
Base-Base interactions energy: -171.674
where: short stacking energy: -81.564
Base-Backbone interact. energy: -0.004
local terms energy: -91.171661
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -14.010
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: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -203.413237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.413237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.413237 (E_RNA)
where:
Base-Base interactions energy: -134.055
where: short stacking energy: -56.994
Base-Backbone interact. energy: -0.120
local terms energy: -69.237846
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -236.882735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.882735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.882735 (E_RNA)
where:
Base-Base interactions energy: -157.539
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.058
local terms energy: -79.285192
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -239.823504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.823504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.823504 (E_RNA)
where:
Base-Base interactions energy: -162.223
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.268
local terms energy: -77.333279
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -8.838
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: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -107.204635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.204635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.204635 (E_RNA)
where:
Base-Base interactions energy: -40.466
where: short stacking energy: -40.466
Base-Backbone interact. energy: -0.211
local terms energy: -66.527604
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -94.498984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.498984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.498984 (E_RNA)
where:
Base-Base interactions energy: -37.292
where: short stacking energy: -28.062
Base-Backbone interact. energy: -0.122
local terms energy: -57.084511
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -1.353
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: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -285.959829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.959829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.959829 (E_RNA)
where:
Base-Base interactions energy: -198.113
where: short stacking energy: -85.878
Base-Backbone interact. energy: -0.097
local terms energy: -87.749117
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -293.623268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.623268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.623268 (E_RNA)
where:
Base-Base interactions energy: -192.092
where: short stacking energy: -86.600
Base-Backbone interact. energy: -0.061
local terms energy: -101.470472
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -15.169
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: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -286.394913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.394913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.394913 (E_RNA)
where:
Base-Base interactions energy: -190.576
where: short stacking energy: -73.510
Base-Backbone interact. energy: -0.087
local terms energy: -95.731031
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -25.372
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: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -271.596984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.596984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.596984 (E_RNA)
where:
Base-Base interactions energy: -186.925
where: short stacking energy: -77.804
Base-Backbone interact. energy: -0.111
local terms energy: -84.561510
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -11.948
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: 5, replica: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -256.122969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.122969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.122969 (E_RNA)
where:
Base-Base interactions energy: -165.426
where: short stacking energy: -80.078
Base-Backbone interact. energy: -0.031
local terms energy: -90.666348
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -23.694
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: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -273.679599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.679599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.679599 (E_RNA)
where:
Base-Base interactions energy: -186.087
where: short stacking energy: -77.758
Base-Backbone interact. energy: 2.164
local terms energy: -89.757206
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -12.245
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: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -213.409630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.409630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.409630 (E_RNA)
where:
Base-Base interactions energy: -138.039
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.684
local terms energy: -74.686656
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -242.803965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.803965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.803965 (E_RNA)
where:
Base-Base interactions energy: -159.296
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.032
local terms energy: -83.475101
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -7.390
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: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -91.721864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.721864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.721864 (E_RNA)
where:
Base-Base interactions energy: -29.098
where: short stacking energy: -27.646
Base-Backbone interact. energy: -0.451
local terms energy: -62.172387
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -87.377876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.377876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.377876 (E_RNA)
where:
Base-Base interactions energy: -26.390
where: short stacking energy: -26.390
Base-Backbone interact. energy: -0.130
local terms energy: -60.857640
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -9.810
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: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -294.631883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.631883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.631883 (E_RNA)
where:
Base-Base interactions energy: -199.793
where: short stacking energy: -80.796
Base-Backbone interact. energy: -0.075
local terms energy: -94.763089
where:
bonds (distance) C4'-P energy: -21.410
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -279.767509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.767509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.767509 (E_RNA)
where:
Base-Base interactions energy: -185.003
where: short stacking energy: -84.806
Base-Backbone interact. energy: -0.001
local terms energy: -94.764080
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -13.371
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: 342
Temperature: 1.000000
Total energy: -277.330696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.330696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.330696 (E_RNA)
where:
Base-Base interactions energy: -191.053
where: short stacking energy: -78.480
Base-Backbone interact. energy: 0.645
local terms energy: -86.922352
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -273.477103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.477103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.477103 (E_RNA)
where:
Base-Base interactions energy: -186.091
where: short stacking energy: -77.064
Base-Backbone interact. energy: -0.014
local terms energy: -87.372191
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -280.160314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.160314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.160314 (E_RNA)
where:
Base-Base interactions energy: -186.626
where: short stacking energy: -83.181
Base-Backbone interact. energy: -0.063
local terms energy: -93.471190
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -21.952
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -26.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -239.064265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.064265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.064265 (E_RNA)
where:
Base-Base interactions energy: -151.043
where: short stacking energy: -67.688
Base-Backbone interact. energy: -0.074
local terms energy: -87.946934
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -22.611
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: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -242.909089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.909089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.909089 (E_RNA)
where:
Base-Base interactions energy: -171.532
where: short stacking energy: -72.021
Base-Backbone interact. energy: -0.204
local terms energy: -71.173045
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -11.749
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: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -192.819607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.819607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.819607 (E_RNA)
where:
Base-Base interactions energy: -119.015
where: short stacking energy: -52.749
Base-Backbone interact. energy: 0.527
local terms energy: -74.331253
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -89.656022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.656022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.656022 (E_RNA)
where:
Base-Base interactions energy: -31.625
where: short stacking energy: -29.085
Base-Backbone interact. energy: -1.299
local terms energy: -56.732003
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: 1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -86.926025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.926025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.926025 (E_RNA)
where:
Base-Base interactions energy: -31.634
where: short stacking energy: -31.268
Base-Backbone interact. energy: 0.453
local terms energy: -55.745747
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -302.701231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.701231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.701231 (E_RNA)
where:
Base-Base interactions energy: -205.668
where: short stacking energy: -85.798
Base-Backbone interact. energy: -0.043
local terms energy: -96.990801
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -25.516
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: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -287.032878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.032878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.032878 (E_RNA)
where:
Base-Base interactions energy: -189.687
where: short stacking energy: -79.294
Base-Backbone interact. energy: -0.043
local terms energy: -97.302340
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -26.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -276.825108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.825108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.825108 (E_RNA)
where:
Base-Base interactions energy: -191.834
where: short stacking energy: -81.994
Base-Backbone interact. energy: -0.358
local terms energy: -84.633096
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -13.981
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: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -270.536857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.536857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.536857 (E_RNA)
where:
Base-Base interactions energy: -174.224
where: short stacking energy: -81.020
Base-Backbone interact. energy: -0.052
local terms energy: -96.260387
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -25.224
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: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -263.496066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.496066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.496066 (E_RNA)
where:
Base-Base interactions energy: -175.808
where: short stacking energy: -77.164
Base-Backbone interact. energy: -0.103
local terms energy: -87.584154
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -25.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -257.858457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.858457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.858457 (E_RNA)
where:
Base-Base interactions energy: -173.164
where: short stacking energy: -72.642
Base-Backbone interact. energy: -0.021
local terms energy: -84.673019
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -22.327
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: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -259.125417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.125417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.125417 (E_RNA)
where:
Base-Base interactions energy: -172.024
where: short stacking energy: -71.589
Base-Backbone interact. energy: 1.647
local terms energy: -88.748346
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -13.072
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: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -209.623729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.623729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.623729 (E_RNA)
where:
Base-Base interactions energy: -134.098
where: short stacking energy: -48.640
Base-Backbone interact. energy: -0.554
local terms energy: -74.972261
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -83.951430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.951430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.951430 (E_RNA)
where:
Base-Base interactions energy: -31.451
where: short stacking energy: -22.388
Base-Backbone interact. energy: -0.703
local terms energy: -51.797415
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -1.158
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: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -92.101369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.101369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.101369 (E_RNA)
where:
Base-Base interactions energy: -37.106
where: short stacking energy: -17.545
Base-Backbone interact. energy: -0.061
local terms energy: -54.934912
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -2.161
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: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -292.511969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.511969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.511969 (E_RNA)
where:
Base-Base interactions energy: -190.283
where: short stacking energy: -83.707
Base-Backbone interact. energy: -0.003
local terms energy: -102.226247
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -28.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -290.965561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.965561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.965561 (E_RNA)
where:
Base-Base interactions energy: -197.011
where: short stacking energy: -83.154
Base-Backbone interact. energy: -0.240
local terms energy: -93.714855
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -27.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -276.936031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.936031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.936031 (E_RNA)
where:
Base-Base interactions energy: -185.025
where: short stacking energy: -87.442
Base-Backbone interact. energy: 0.822
local terms energy: -92.733527
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -26.051
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: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -270.196686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.196686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.196686 (E_RNA)
where:
Base-Base interactions energy: -169.799
where: short stacking energy: -80.523
Base-Backbone interact. energy: -0.097
local terms energy: -100.300442
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -15.344
tors. eta vs tors. theta energy: -26.332
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: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -237.271998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.271998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.271998 (E_RNA)
where:
Base-Base interactions energy: -161.265
where: short stacking energy: -68.218
Base-Backbone interact. energy: -0.458
local terms energy: -75.549174
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -271.500597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.500597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.500597 (E_RNA)
where:
Base-Base interactions energy: -185.638
where: short stacking energy: -72.236
Base-Backbone interact. energy: -0.063
local terms energy: -85.799584
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -23.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -252.405047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.405047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.405047 (E_RNA)
where:
Base-Base interactions energy: -162.936
where: short stacking energy: -66.945
Base-Backbone interact. energy: -0.002
local terms energy: -89.466872
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -194.306214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.306214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.306214 (E_RNA)
where:
Base-Base interactions energy: -130.247
where: short stacking energy: -55.390
Base-Backbone interact. energy: 0.297
local terms energy: -64.355910
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -95.295653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.295653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.295653 (E_RNA)
where:
Base-Base interactions energy: -31.225
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.113
local terms energy: -63.956919
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -95.511642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.511642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.511642 (E_RNA)
where:
Base-Base interactions energy: -31.861
where: short stacking energy: -25.472
Base-Backbone interact. energy: -0.006
local terms energy: -63.644673
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -299.076168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.076168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.076168 (E_RNA)
where:
Base-Base interactions energy: -195.853
where: short stacking energy: -85.035
Base-Backbone interact. energy: -1.911
local terms energy: -101.312341
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -27.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -282.653301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.653301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.653301 (E_RNA)
where:
Base-Base interactions energy: -195.005
where: short stacking energy: -85.271
Base-Backbone interact. energy: -0.061
local terms energy: -87.586899
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -14.585
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: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -280.867730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.867730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.867730 (E_RNA)
where:
Base-Base interactions energy: -188.524
where: short stacking energy: -83.208
Base-Backbone interact. energy: -0.107
local terms energy: -92.236768
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -27.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -263.379777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.379777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.379777 (E_RNA)
where:
Base-Base interactions energy: -176.999
where: short stacking energy: -74.893
Base-Backbone interact. energy: -0.001
local terms energy: -86.379746
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -12.027
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: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -274.864869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.864869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.864869 (E_RNA)
where:
Base-Base interactions energy: -185.002
where: short stacking energy: -80.395
Base-Backbone interact. energy: -0.238
local terms energy: -89.625626
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -252.599124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.599124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.599124 (E_RNA)
where:
Base-Base interactions energy: -170.607
where: short stacking energy: -75.655
Base-Backbone interact. energy: 0.298
local terms energy: -82.290323
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -22.141
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: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -250.586273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.586273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.586273 (E_RNA)
where:
Base-Base interactions energy: -162.852
where: short stacking energy: -76.393
Base-Backbone interact. energy: -0.051
local terms energy: -87.683730
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -26.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -209.918021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.918021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.918021 (E_RNA)
where:
Base-Base interactions energy: -133.576
where: short stacking energy: -54.758
Base-Backbone interact. energy: 1.825
local terms energy: -78.166843
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -82.945722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.945722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.945722 (E_RNA)
where:
Base-Base interactions energy: -32.653
where: short stacking energy: -28.750
Base-Backbone interact. energy: 0.730
local terms energy: -51.022675
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -8.526
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: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -88.442875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.442875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.442875 (E_RNA)
where:
Base-Base interactions energy: -27.218
where: short stacking energy: -19.707
Base-Backbone interact. energy: -0.581
local terms energy: -60.644072
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: 0.653
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: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -292.332269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.332269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.332269 (E_RNA)
where:
Base-Base interactions energy: -198.158
where: short stacking energy: -85.808
Base-Backbone interact. energy: 0.072
local terms energy: -94.246058
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -283.827678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.827678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.827678 (E_RNA)
where:
Base-Base interactions energy: -189.054
where: short stacking energy: -82.477
Base-Backbone interact. energy: -0.077
local terms energy: -94.696590
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -10.632
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: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -268.268461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.268461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.268461 (E_RNA)
where:
Base-Base interactions energy: -174.357
where: short stacking energy: -86.286
Base-Backbone interact. energy: -0.002
local terms energy: -93.909752
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -20.668
flat angles P-C4'-P energy: -7.506
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: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -254.601174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.601174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.601174 (E_RNA)
where:
Base-Base interactions energy: -169.251
where: short stacking energy: -77.225
Base-Backbone interact. energy: -0.127
local terms energy: -85.223210
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -24.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -253.844296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.844296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.844296 (E_RNA)
where:
Base-Base interactions energy: -166.077
where: short stacking energy: -73.448
Base-Backbone interact. energy: -0.217
local terms energy: -87.550328
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -262.830692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.830692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.830692 (E_RNA)
where:
Base-Base interactions energy: -181.039
where: short stacking energy: -73.701
Base-Backbone interact. energy: -0.115
local terms energy: -81.676241
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -23.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -213.190504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.190504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.190504 (E_RNA)
where:
Base-Base interactions energy: -144.667
where: short stacking energy: -63.166
Base-Backbone interact. energy: -0.054
local terms energy: -68.470094
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -231.425539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.425539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.425539 (E_RNA)
where:
Base-Base interactions energy: -151.339
where: short stacking energy: -69.394
Base-Backbone interact. energy: 0.235
local terms energy: -80.322322
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -11.474
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: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -102.904659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.904659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.904659 (E_RNA)
where:
Base-Base interactions energy: -44.709
where: short stacking energy: -41.209
Base-Backbone interact. energy: -0.102
local terms energy: -58.094003
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -84.649352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.649352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.649352 (E_RNA)
where:
Base-Base interactions energy: -34.355
where: short stacking energy: -22.293
Base-Backbone interact. energy: -0.233
local terms energy: -50.061329
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -11.261
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: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -292.230771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.230771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.230771 (E_RNA)
where:
Base-Base interactions energy: -194.887
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.123
local terms energy: -97.221197
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -14.788
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: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -288.264071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.264071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.264071 (E_RNA)
where:
Base-Base interactions energy: -194.187
where: short stacking energy: -83.124
Base-Backbone interact. energy: -0.661
local terms energy: -93.415666
where:
bonds (distance) C4'-P energy: -21.061
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -294.014953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.014953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.014953 (E_RNA)
where:
Base-Base interactions energy: -205.721
where: short stacking energy: -82.008
Base-Backbone interact. energy: -0.102
local terms energy: -88.192515
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -25.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -285.651556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.651556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.651556 (E_RNA)
where:
Base-Base interactions energy: -191.746
where: short stacking energy: -81.386
Base-Backbone interact. energy: -0.022
local terms energy: -93.883175
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -263.640948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.640948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.640948 (E_RNA)
where:
Base-Base interactions energy: -174.968
where: short stacking energy: -76.631
Base-Backbone interact. energy: 0.222
local terms energy: -88.894913
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -14.133
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: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -259.788653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.788653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.788653 (E_RNA)
where:
Base-Base interactions energy: -173.962
where: short stacking energy: -76.345
Base-Backbone interact. energy: -0.573
local terms energy: -85.253450
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -23.614
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: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -221.269893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.269893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.269893 (E_RNA)
where:
Base-Base interactions energy: -144.303
where: short stacking energy: -64.682
Base-Backbone interact. energy: -0.081
local terms energy: -76.886466
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -20.236
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: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -226.382855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.382855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.382855 (E_RNA)
where:
Base-Base interactions energy: -149.500
where: short stacking energy: -62.749
Base-Backbone interact. energy: -0.779
local terms energy: -76.103549
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -90.164841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.164841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.164841 (E_RNA)
where:
Base-Base interactions energy: -31.528
where: short stacking energy: -31.528
Base-Backbone interact. energy: -0.552
local terms energy: -58.085522
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -96.682272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.682272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.682272 (E_RNA)
where:
Base-Base interactions energy: -42.133
where: short stacking energy: -33.057
Base-Backbone interact. energy: -0.796
local terms energy: -53.752867
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -0.411
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -293.062890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.062890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.062890 (E_RNA)
where:
Base-Base interactions energy: -202.522
where: short stacking energy: -89.609
Base-Backbone interact. energy: -0.045
local terms energy: -90.496600
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -22.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -290.619340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.619340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.619340 (E_RNA)
where:
Base-Base interactions energy: -194.512
where: short stacking energy: -75.754
Base-Backbone interact. energy: -0.012
local terms energy: -96.095945
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -24.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -274.856594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.856594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.856594 (E_RNA)
where:
Base-Base interactions energy: -180.593
where: short stacking energy: -82.406
Base-Backbone interact. energy: -0.466
local terms energy: -93.797852
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -22.950
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: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -287.827289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.827289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.827289 (E_RNA)
where:
Base-Base interactions energy: -198.631
where: short stacking energy: -89.634
Base-Backbone interact. energy: 0.743
local terms energy: -89.938690
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -23.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -264.801094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.801094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.801094 (E_RNA)
where:
Base-Base interactions energy: -178.669
where: short stacking energy: -76.892
Base-Backbone interact. energy: -0.014
local terms energy: -86.117902
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -24.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -262.349317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.349317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.349317 (E_RNA)
where:
Base-Base interactions energy: -177.376
where: short stacking energy: -71.386
Base-Backbone interact. energy: -0.082
local terms energy: -84.891434
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -25.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -225.263712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.263712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.263712 (E_RNA)
where:
Base-Base interactions energy: -157.010
where: short stacking energy: -72.575
Base-Backbone interact. energy: -0.539
local terms energy: -67.715248
where:
bonds (distance) C4'-P energy: -8.817
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -146.354188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.354188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.354188 (E_RNA)
where:
Base-Base interactions energy: -80.347
where: short stacking energy: -35.693
Base-Backbone interact. energy: -0.425
local terms energy: -65.581906
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -95.836562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.836562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.836562 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -21.496
Base-Backbone interact. energy: -0.051
local terms energy: -55.119878
where:
bonds (distance) C4'-P energy: -8.424
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -2.352
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: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -95.124907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.124907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.124907 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -33.862
Base-Backbone interact. energy: -0.141
local terms energy: -54.930195
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -298.313877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.313877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.313877 (E_RNA)
where:
Base-Base interactions energy: -205.334
where: short stacking energy: -88.536
Base-Backbone interact. energy: -0.087
local terms energy: -92.893347
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -24.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -286.062810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.062810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.062810 (E_RNA)
where:
Base-Base interactions energy: -190.728
where: short stacking energy: -80.300
Base-Backbone interact. energy: 0.244
local terms energy: -95.578537
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -24.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -291.673879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.673879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.673879 (E_RNA)
where:
Base-Base interactions energy: -199.623
where: short stacking energy: -83.171
Base-Backbone interact. energy: -0.140
local terms energy: -91.910928
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -13.218
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: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -289.297466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.297466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.297466 (E_RNA)
where:
Base-Base interactions energy: -200.213
where: short stacking energy: -75.404
Base-Backbone interact. energy: -0.090
local terms energy: -88.994958
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -264.938146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.938146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.938146 (E_RNA)
where:
Base-Base interactions energy: -186.217
where: short stacking energy: -82.829
Base-Backbone interact. energy: -0.387
local terms energy: -78.334510
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -23.827
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: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -259.622052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.622052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.622052 (E_RNA)
where:
Base-Base interactions energy: -174.407
where: short stacking energy: -68.053
Base-Backbone interact. energy: -0.111
local terms energy: -85.104130
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -235.033707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.033707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.033707 (E_RNA)
where:
Base-Base interactions energy: -152.550
where: short stacking energy: -67.809
Base-Backbone interact. energy: -0.078
local terms energy: -82.405699
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -96.926573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.926573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.926573 (E_RNA)
where:
Base-Base interactions energy: -39.647
where: short stacking energy: -35.430
Base-Backbone interact. energy: 0.020
local terms energy: -57.299930
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -106.895462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.895462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.895462 (E_RNA)
where:
Base-Base interactions energy: -48.774
where: short stacking energy: -36.330
Base-Backbone interact. energy: -1.599
local terms energy: -56.522886
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -8.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -78.951266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.951266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.951266 (E_RNA)
where:
Base-Base interactions energy: -18.578
where: short stacking energy: -13.190
Base-Backbone interact. energy: 2.190
local terms energy: -62.563945
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -12.146
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: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -287.748254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.748254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.748254 (E_RNA)
where:
Base-Base interactions energy: -192.241
where: short stacking energy: -83.483
Base-Backbone interact. energy: 0.379
local terms energy: -95.885986
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -26.938
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: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -294.950943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.950943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.950943 (E_RNA)
where:
Base-Base interactions energy: -200.081
where: short stacking energy: -83.418
Base-Backbone interact. energy: -0.204
local terms energy: -94.665848
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -22.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -283.223690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.223690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.223690 (E_RNA)
where:
Base-Base interactions energy: -186.649
where: short stacking energy: -83.984
Base-Backbone interact. energy: -0.097
local terms energy: -96.476764
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -14.917
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: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -270.663893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.663893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.663893 (E_RNA)
where:
Base-Base interactions energy: -188.134
where: short stacking energy: -77.639
Base-Backbone interact. energy: -0.210
local terms energy: -82.320166
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -264.872668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.872668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.872668 (E_RNA)
where:
Base-Base interactions energy: -190.092
where: short stacking energy: -90.430
Base-Backbone interact. energy: 2.069
local terms energy: -76.849105
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -272.816785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.816785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.816785 (E_RNA)
where:
Base-Base interactions energy: -187.601
where: short stacking energy: -78.199
Base-Backbone interact. energy: -0.011
local terms energy: -85.204927
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -21.769
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: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -259.131575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.131575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.131575 (E_RNA)
where:
Base-Base interactions energy: -179.312
where: short stacking energy: -75.843
Base-Backbone interact. energy: -0.168
local terms energy: -79.651252
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -96.306292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.306292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.306292 (E_RNA)
where:
Base-Base interactions energy: -46.215
where: short stacking energy: -37.239
Base-Backbone interact. energy: -0.697
local terms energy: -49.393894
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -98.091028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.091028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.091028 (E_RNA)
where:
Base-Base interactions energy: -41.235
where: short stacking energy: -23.540
Base-Backbone interact. energy: 0.048
local terms energy: -56.904811
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -98.964135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.964135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.964135 (E_RNA)
where:
Base-Base interactions energy: -34.328
where: short stacking energy: -34.328
Base-Backbone interact. energy: -0.046
local terms energy: -64.590867
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -295.622501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.622501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.622501 (E_RNA)
where:
Base-Base interactions energy: -200.486
where: short stacking energy: -77.672
Base-Backbone interact. energy: -0.201
local terms energy: -94.935328
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -18.263
tors. eta vs tors. theta energy: -24.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -288.841437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.841437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.841437 (E_RNA)
where:
Base-Base interactions energy: -198.854
where: short stacking energy: -86.912
Base-Backbone interact. energy: -0.444
local terms energy: -89.543682
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -29.049
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: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -290.626107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.626107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.626107 (E_RNA)
where:
Base-Base interactions energy: -201.649
where: short stacking energy: -85.273
Base-Backbone interact. energy: -0.900
local terms energy: -88.077318
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -16.135
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: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -273.752949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.752949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.752949 (E_RNA)
where:
Base-Base interactions energy: -192.101
where: short stacking energy: -74.520
Base-Backbone interact. energy: -0.102
local terms energy: -81.549754
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -21.513
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: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -247.413853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.413853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.413853 (E_RNA)
where:
Base-Base interactions energy: -160.101
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.710
local terms energy: -86.602374
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -17.256
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: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -258.812427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.812427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.812427 (E_RNA)
where:
Base-Base interactions energy: -178.231
where: short stacking energy: -73.957
Base-Backbone interact. energy: -0.100
local terms energy: -80.481081
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -246.277923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.277923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.277923 (E_RNA)
where:
Base-Base interactions energy: -165.148
where: short stacking energy: -71.890
Base-Backbone interact. energy: -0.027
local terms energy: -81.103022
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -20.127
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: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -100.487113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.487113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.487113 (E_RNA)
where:
Base-Base interactions energy: -40.613
where: short stacking energy: -39.506
Base-Backbone interact. energy: -0.837
local terms energy: -59.036611
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -86.445606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.445606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.445606 (E_RNA)
where:
Base-Base interactions energy: -26.489
where: short stacking energy: -26.091
Base-Backbone interact. energy: -0.248
local terms energy: -59.708841
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -86.639259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.639259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.639259 (E_RNA)
where:
Base-Base interactions energy: -30.211
where: short stacking energy: -15.720
Base-Backbone interact. energy: -0.210
local terms energy: -56.217489
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: 4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -295.059832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.059832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.059832 (E_RNA)
where:
Base-Base interactions energy: -204.417
where: short stacking energy: -88.289
Base-Backbone interact. energy: -0.029
local terms energy: -90.613309
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -24.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -291.088738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.088738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.088738 (E_RNA)
where:
Base-Base interactions energy: -200.224
where: short stacking energy: -88.678
Base-Backbone interact. energy: -0.098
local terms energy: -90.766853
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -23.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -283.437146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.437146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.437146 (E_RNA)
where:
Base-Base interactions energy: -192.496
where: short stacking energy: -96.075
Base-Backbone interact. energy: -0.001
local terms energy: -90.940504
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -28.106
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: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -287.860631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.860631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.860631 (E_RNA)
where:
Base-Base interactions energy: -197.464
where: short stacking energy: -97.788
Base-Backbone interact. energy: -0.022
local terms energy: -90.374928
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -28.650
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: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -253.902201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.902201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.902201 (E_RNA)
where:
Base-Base interactions energy: -168.669
where: short stacking energy: -70.181
Base-Backbone interact. energy: -0.119
local terms energy: -85.114000
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -10.982
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: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -249.768258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.768258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.768258 (E_RNA)
where:
Base-Base interactions energy: -181.251
where: short stacking energy: -73.014
Base-Backbone interact. energy: -0.147
local terms energy: -68.370291
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -7.042
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: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -262.285732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.285732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.285732 (E_RNA)
where:
Base-Base interactions energy: -176.344
where: short stacking energy: -80.194
Base-Backbone interact. energy: -0.074
local terms energy: -85.867983
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -27.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -107.488654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.488654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.488654 (E_RNA)
where:
Base-Base interactions energy: -39.700
where: short stacking energy: -30.266
Base-Backbone interact. energy: -0.657
local terms energy: -67.131725
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -100.349292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.349292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.349292 (E_RNA)
where:
Base-Base interactions energy: -35.839
where: short stacking energy: -35.839
Base-Backbone interact. energy: -0.024
local terms energy: -64.487051
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -85.612383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.612383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.612383 (E_RNA)
where:
Base-Base interactions energy: -26.211
where: short stacking energy: -23.141
Base-Backbone interact. energy: 0.739
local terms energy: -60.140633
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: 2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -295.646496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.646496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.646496 (E_RNA)
where:
Base-Base interactions energy: -194.465
where: short stacking energy: -93.286
Base-Backbone interact. energy: -0.056
local terms energy: -101.124674
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: -29.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -287.576485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.576485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.576485 (E_RNA)
where:
Base-Base interactions energy: -189.957
where: short stacking energy: -85.096
Base-Backbone interact. energy: -0.094
local terms energy: -97.525187
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -281.161123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.161123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.161123 (E_RNA)
where:
Base-Base interactions energy: -189.936
where: short stacking energy: -76.916
Base-Backbone interact. energy: -0.046
local terms energy: -91.178989
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -26.472
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: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -276.885024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.885024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.885024 (E_RNA)
where:
Base-Base interactions energy: -190.473
where: short stacking energy: -82.965
Base-Backbone interact. energy: -0.051
local terms energy: -86.360849
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -233.914851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.914851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.914851 (E_RNA)
where:
Base-Base interactions energy: -152.371
where: short stacking energy: -69.377
Base-Backbone interact. energy: -0.378
local terms energy: -81.166646
where:
bonds (distance) C4'-P energy: -6.404
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -15.750
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -270.253851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.253851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.253851 (E_RNA)
where:
Base-Base interactions energy: -184.677
where: short stacking energy: -75.367
Base-Backbone interact. energy: -0.158
local terms energy: -85.418411
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -12.797
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: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -257.657249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.657249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.657249 (E_RNA)
where:
Base-Base interactions energy: -174.619
where: short stacking energy: -70.179
Base-Backbone interact. energy: 1.221
local terms energy: -84.259103
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -102.831316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.831316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.831316 (E_RNA)
where:
Base-Base interactions energy: -40.824
where: short stacking energy: -33.438
Base-Backbone interact. energy: -0.387
local terms energy: -61.620132
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -1.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -87.572314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.572314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.572314 (E_RNA)
where:
Base-Base interactions energy: -31.214
where: short stacking energy: -22.149
Base-Backbone interact. energy: -0.724
local terms energy: -55.634763
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -90.414766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.414766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.414766 (E_RNA)
where:
Base-Base interactions energy: -30.963
where: short stacking energy: -26.519
Base-Backbone interact. energy: -0.437
local terms energy: -59.014718
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -1.638
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: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -298.890450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.890450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.890450 (E_RNA)
where:
Base-Base interactions energy: -206.259
where: short stacking energy: -86.038
Base-Backbone interact. energy: -0.308
local terms energy: -92.323482
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -26.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -293.390178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.390178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.390178 (E_RNA)
where:
Base-Base interactions energy: -196.232
where: short stacking energy: -93.247
Base-Backbone interact. energy: -1.033
local terms energy: -96.125819
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -28.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -273.153493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.153493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.153493 (E_RNA)
where:
Base-Base interactions energy: -178.655
where: short stacking energy: -91.305
Base-Backbone interact. energy: -0.049
local terms energy: -94.450011
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -28.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -251.175370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.175370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.175370 (E_RNA)
where:
Base-Base interactions energy: -163.929
where: short stacking energy: -69.402
Base-Backbone interact. energy: -0.176
local terms energy: -87.070867
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -266.228375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.228375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.228375 (E_RNA)
where:
Base-Base interactions energy: -178.210
where: short stacking energy: -80.460
Base-Backbone interact. energy: -0.074
local terms energy: -87.944945
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -12.016
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: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -243.290162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.290162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.290162 (E_RNA)
where:
Base-Base interactions energy: -161.350
where: short stacking energy: -77.922
Base-Backbone interact. energy: -0.003
local terms energy: -81.937302
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -21.914
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: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -235.680748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.680748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.680748 (E_RNA)
where:
Base-Base interactions energy: -158.118
where: short stacking energy: -70.385
Base-Backbone interact. energy: -0.665
local terms energy: -76.898154
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -18.348
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: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -104.614521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.614521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.614521 (E_RNA)
where:
Base-Base interactions energy: -45.134
where: short stacking energy: -39.877
Base-Backbone interact. energy: -0.282
local terms energy: -59.198672
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -101.190766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.190766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.190766 (E_RNA)
where:
Base-Base interactions energy: -38.995
where: short stacking energy: -31.818
Base-Backbone interact. energy: -0.291
local terms energy: -61.904846
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -92.216529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.216529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.216529 (E_RNA)
where:
Base-Base interactions energy: -30.822
where: short stacking energy: -30.393
Base-Backbone interact. energy: -0.054
local terms energy: -61.340250
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -292.570135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.570135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.570135 (E_RNA)
where:
Base-Base interactions energy: -201.112
where: short stacking energy: -87.824
Base-Backbone interact. energy: -0.022
local terms energy: -91.436243
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -24.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -286.538676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.538676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.538676 (E_RNA)
where:
Base-Base interactions energy: -197.440
where: short stacking energy: -87.575
Base-Backbone interact. energy: -0.087
local terms energy: -89.011307
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -282.721204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.721204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.721204 (E_RNA)
where:
Base-Base interactions energy: -188.225
where: short stacking energy: -90.579
Base-Backbone interact. energy: 0.441
local terms energy: -94.937111
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -291.428790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.428790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.428790 (E_RNA)
where:
Base-Base interactions energy: -196.504
where: short stacking energy: -82.057
Base-Backbone interact. energy: -0.350
local terms energy: -94.574287
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -13.128
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: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -244.995779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.995779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.995779 (E_RNA)
where:
Base-Base interactions energy: -158.327
where: short stacking energy: -63.014
Base-Backbone interact. energy: -0.312
local terms energy: -86.356788
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -244.592115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.592115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.592115 (E_RNA)
where:
Base-Base interactions energy: -166.913
where: short stacking energy: -72.552
Base-Backbone interact. energy: -0.027
local terms energy: -77.652873
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -9.917
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: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -245.550330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.550330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.550330 (E_RNA)
where:
Base-Base interactions energy: -172.397
where: short stacking energy: -74.376
Base-Backbone interact. energy: -1.070
local terms energy: -72.082948
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -12.548
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: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -102.578895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.578895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.578895 (E_RNA)
where:
Base-Base interactions energy: -40.946
where: short stacking energy: -34.513
Base-Backbone interact. energy: -0.053
local terms energy: -61.580642
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -95.651258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.651258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.651258 (E_RNA)
where:
Base-Base interactions energy: -34.355
where: short stacking energy: -28.666
Base-Backbone interact. energy: -0.420
local terms energy: -60.876227
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -10.223
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: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -81.087460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.087460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.087460 (E_RNA)
where:
Base-Base interactions energy: -26.382
where: short stacking energy: -26.382
Base-Backbone interact. energy: -0.255
local terms energy: -54.450812
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -284.385041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.385041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.385041 (E_RNA)
where:
Base-Base interactions energy: -192.884
where: short stacking energy: -90.290
Base-Backbone interact. energy: -1.542
local terms energy: -89.959371
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -13.009
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: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -291.298384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.298384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.298384 (E_RNA)
where:
Base-Base interactions energy: -193.051
where: short stacking energy: -83.931
Base-Backbone interact. energy: -0.110
local terms energy: -98.137146
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -14.416
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -291.863648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.863648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.863648 (E_RNA)
where:
Base-Base interactions energy: -197.841
where: short stacking energy: -80.894
Base-Backbone interact. energy: -0.033
local terms energy: -93.989551
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -12.955
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: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -278.694152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.694152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.694152 (E_RNA)
where:
Base-Base interactions energy: -192.587
where: short stacking energy: -86.766
Base-Backbone interact. energy: -0.132
local terms energy: -85.975088
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -258.757683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.757683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.757683 (E_RNA)
where:
Base-Base interactions energy: -170.554
where: short stacking energy: -79.271
Base-Backbone interact. energy: -0.001
local terms energy: -88.202766
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -15.659
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: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -251.100229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.100229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.100229 (E_RNA)
where:
Base-Base interactions energy: -165.126
where: short stacking energy: -75.347
Base-Backbone interact. energy: -0.002
local terms energy: -85.972358
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -23.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -238.790818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.790818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.790818 (E_RNA)
where:
Base-Base interactions energy: -156.290
where: short stacking energy: -65.857
Base-Backbone interact. energy: -0.088
local terms energy: -82.412373
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -100.542757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.542757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.542757 (E_RNA)
where:
Base-Base interactions energy: -38.429
where: short stacking energy: -38.429
Base-Backbone interact. energy: -0.044
local terms energy: -62.069486
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -104.138087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.138087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.138087 (E_RNA)
where:
Base-Base interactions energy: -47.727
where: short stacking energy: -37.037
Base-Backbone interact. energy: -1.008
local terms energy: -55.402739
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -8.146
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -87.405973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.405973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.405973 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -27.245
Base-Backbone interact. energy: 0.105
local terms energy: -54.784504
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -7.224
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: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -298.453265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.453265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.453265 (E_RNA)
where:
Base-Base interactions energy: -201.735
where: short stacking energy: -79.622
Base-Backbone interact. energy: -0.079
local terms energy: -96.639380
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: -24.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -287.007660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.007660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.007660 (E_RNA)
where:
Base-Base interactions energy: -192.390
where: short stacking energy: -85.581
Base-Backbone interact. energy: -0.298
local terms energy: -94.319730
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -14.565
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: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -287.619252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.619252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.619252 (E_RNA)
where:
Base-Base interactions energy: -206.012
where: short stacking energy: -88.136
Base-Backbone interact. energy: -0.038
local terms energy: -81.569169
where:
bonds (distance) C4'-P energy: -7.858
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -21.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -272.921404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.921404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.921404 (E_RNA)
where:
Base-Base interactions energy: -183.849
where: short stacking energy: -85.850
Base-Backbone interact. energy: -0.002
local terms energy: -89.070703
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -26.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -241.268317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.268317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.268317 (E_RNA)
where:
Base-Base interactions energy: -162.083
where: short stacking energy: -74.624
Base-Backbone interact. energy: -0.018
local terms energy: -79.166896
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -247.936325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.936325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.936325 (E_RNA)
where:
Base-Base interactions energy: -154.592
where: short stacking energy: -66.745
Base-Backbone interact. energy: -0.351
local terms energy: -92.993349
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -19.196
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: 357
Temperature: 1.200000
Total energy: -242.019918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.019918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.019918 (E_RNA)
where:
Base-Base interactions energy: -163.972
where: short stacking energy: -64.595
Base-Backbone interact. energy: -0.351
local terms energy: -77.697657
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -94.700004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.700004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.700004 (E_RNA)
where:
Base-Base interactions energy: -41.223
where: short stacking energy: -28.307
Base-Backbone interact. energy: -0.273
local terms energy: -53.203626
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -0.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -102.288698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.288698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.288698 (E_RNA)
where:
Base-Base interactions energy: -34.691
where: short stacking energy: -28.392
Base-Backbone interact. energy: -0.010
local terms energy: -67.587368
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -12.326
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: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -85.459695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.459695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.459695 (E_RNA)
where:
Base-Base interactions energy: -38.702
where: short stacking energy: -29.885
Base-Backbone interact. energy: -0.104
local terms energy: -46.653757
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: 0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -292.655316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.655316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.655316 (E_RNA)
where:
Base-Base interactions energy: -200.626
where: short stacking energy: -82.901
Base-Backbone interact. energy: -0.152
local terms energy: -91.877046
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -14.060
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: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -287.711906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.711906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.711906 (E_RNA)
where:
Base-Base interactions energy: -191.465
where: short stacking energy: -74.292
Base-Backbone interact. energy: -0.690
local terms energy: -95.557505
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -14.109
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: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -269.743870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.743870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.743870 (E_RNA)
where:
Base-Base interactions energy: -178.147
where: short stacking energy: -70.894
Base-Backbone interact. energy: -0.105
local terms energy: -91.492373
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -282.954341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.954341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.954341 (E_RNA)
where:
Base-Base interactions energy: -190.028
where: short stacking energy: -81.333
Base-Backbone interact. energy: -0.350
local terms energy: -92.576289
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -16.125
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: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -250.431668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.431668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.431668 (E_RNA)
where:
Base-Base interactions energy: -166.984
where: short stacking energy: -79.014
Base-Backbone interact. energy: -1.101
local terms energy: -82.346609
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -240.715947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.715947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.715947 (E_RNA)
where:
Base-Base interactions energy: -162.878
where: short stacking energy: -80.330
Base-Backbone interact. energy: -0.007
local terms energy: -77.830793
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -8.450
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: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -261.660018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.660018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.660018 (E_RNA)
where:
Base-Base interactions energy: -177.444
where: short stacking energy: -76.935
Base-Backbone interact. energy: -0.160
local terms energy: -84.055722
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -11.037
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: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -102.054458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.054458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.054458 (E_RNA)
where:
Base-Base interactions energy: -44.282
where: short stacking energy: -44.282
Base-Backbone interact. energy: -0.182
local terms energy: -57.589822
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -8.256
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -109.807274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.807274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.807274 (E_RNA)
where:
Base-Base interactions energy: -42.248
where: short stacking energy: -36.943
Base-Backbone interact. energy: -0.934
local terms energy: -66.624886
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -91.325748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.325748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.325748 (E_RNA)
where:
Base-Base interactions energy: -43.135
where: short stacking energy: -31.338
Base-Backbone interact. energy: -0.255
local terms energy: -47.936550
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -6.973
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -4.651
tors. eta vs tors. theta energy: -4.323
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: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -299.176448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.176448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.176448 (E_RNA)
where:
Base-Base interactions energy: -204.439
where: short stacking energy: -86.291
Base-Backbone interact. energy: -0.017
local terms energy: -94.720771
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -24.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -286.392269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.392269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.392269 (E_RNA)
where:
Base-Base interactions energy: -193.554
where: short stacking energy: -80.970
Base-Backbone interact. energy: -0.035
local terms energy: -92.802601
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -21.120
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -27.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -287.372666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.372666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.372666 (E_RNA)
where:
Base-Base interactions energy: -191.725
where: short stacking energy: -87.652
Base-Backbone interact. energy: -0.003
local terms energy: -95.643907
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -27.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -280.341180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.341180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.341180 (E_RNA)
where:
Base-Base interactions energy: -194.492
where: short stacking energy: -80.065
Base-Backbone interact. energy: -0.316
local terms energy: -85.533174
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -24.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -270.126488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.126488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.126488 (E_RNA)
where:
Base-Base interactions energy: -179.224
where: short stacking energy: -79.577
Base-Backbone interact. energy: -0.266
local terms energy: -90.636946
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -257.692369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.692369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.692369 (E_RNA)
where:
Base-Base interactions energy: -168.595
where: short stacking energy: -78.857
Base-Backbone interact. energy: -0.602
local terms energy: -88.495246
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -24.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -257.683727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.683727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.683727 (E_RNA)
where:
Base-Base interactions energy: -178.167
where: short stacking energy: -76.378
Base-Backbone interact. energy: -0.054
local terms energy: -79.463168
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -104.591515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.591515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.591515 (E_RNA)
where:
Base-Base interactions energy: -43.104
where: short stacking energy: -42.648
Base-Backbone interact. energy: -0.258
local terms energy: -61.229721
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -107.789799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.789799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.789799 (E_RNA)
where:
Base-Base interactions energy: -43.871
where: short stacking energy: -29.086
Base-Backbone interact. energy: -0.371
local terms energy: -63.548444
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -102.146515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.146515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.146515 (E_RNA)
where:
Base-Base interactions energy: -41.974
where: short stacking energy: -26.074
Base-Backbone interact. energy: 1.086
local terms energy: -61.259109
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -14.479
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: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -289.109474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.109474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.109474 (E_RNA)
where:
Base-Base interactions energy: -186.622
where: short stacking energy: -81.307
Base-Backbone interact. energy: -0.100
local terms energy: -102.387944
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -28.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -291.099544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.099544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.099544 (E_RNA)
where:
Base-Base interactions energy: -189.764
where: short stacking energy: -82.833
Base-Backbone interact. energy: -0.055
local terms energy: -101.280649
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -283.179005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.179005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.179005 (E_RNA)
where:
Base-Base interactions energy: -194.861
where: short stacking energy: -81.544
Base-Backbone interact. energy: -0.109
local terms energy: -88.209665
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -24.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -289.559717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.559717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.559717 (E_RNA)
where:
Base-Base interactions energy: -193.805
where: short stacking energy: -81.716
Base-Backbone interact. energy: -0.011
local terms energy: -95.743656
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -24.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -278.018706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.018706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.018706 (E_RNA)
where:
Base-Base interactions energy: -186.283
where: short stacking energy: -80.587
Base-Backbone interact. energy: -0.136
local terms energy: -91.599827
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -25.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -272.142940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.142940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.142940 (E_RNA)
where:
Base-Base interactions energy: -183.191
where: short stacking energy: -87.017
Base-Backbone interact. energy: 0.280
local terms energy: -89.231557
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -12.414
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: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -234.725651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.725651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.725651 (E_RNA)
where:
Base-Base interactions energy: -152.277
where: short stacking energy: -67.896
Base-Backbone interact. energy: -0.492
local terms energy: -81.956274
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -19.244
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: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -102.450018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.450018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.450018 (E_RNA)
where:
Base-Base interactions energy: -44.217
where: short stacking energy: -33.460
Base-Backbone interact. energy: -0.119
local terms energy: -58.114230
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -102.278535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.278535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.278535 (E_RNA)
where:
Base-Base interactions energy: -35.487
where: short stacking energy: -35.487
Base-Backbone interact. energy: -0.215
local terms energy: -66.577062
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -84.010521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.010521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.010521 (E_RNA)
where:
Base-Base interactions energy: -40.920
where: short stacking energy: -26.687
Base-Backbone interact. energy: -0.321
local terms energy: -42.768884
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: 2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -291.414603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.414603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.414603 (E_RNA)
where:
Base-Base interactions energy: -198.703
where: short stacking energy: -87.986
Base-Backbone interact. energy: -0.003
local terms energy: -92.707991
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -26.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -295.970876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.970876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.970876 (E_RNA)
where:
Base-Base interactions energy: -197.059
where: short stacking energy: -83.958
Base-Backbone interact. energy: -0.878
local terms energy: -98.033452
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -278.517004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.517004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.517004 (E_RNA)
where:
Base-Base interactions energy: -191.943
where: short stacking energy: -75.936
Base-Backbone interact. energy: -0.281
local terms energy: -86.293593
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -265.613388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.613388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.613388 (E_RNA)
where:
Base-Base interactions energy: -177.588
where: short stacking energy: -73.367
Base-Backbone interact. energy: -0.048
local terms energy: -87.977268
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -274.661572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.661572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.661572 (E_RNA)
where:
Base-Base interactions energy: -190.503
where: short stacking energy: -81.867
Base-Backbone interact. energy: -0.152
local terms energy: -84.006474
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -246.979985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.979985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.979985 (E_RNA)
where:
Base-Base interactions energy: -175.377
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.108
local terms energy: -71.494464
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -228.288457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.288457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.288457 (E_RNA)
where:
Base-Base interactions energy: -149.077
where: short stacking energy: -62.402
Base-Backbone interact. energy: 0.094
local terms energy: -79.305861
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -99.035160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.035160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.035160 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -31.694
Base-Backbone interact. energy: -0.154
local terms energy: -67.487631
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -114.226837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.226837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.226837 (E_RNA)
where:
Base-Base interactions energy: -52.077
where: short stacking energy: -29.173
Base-Backbone interact. energy: -0.218
local terms energy: -61.931668
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -101.063801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.063801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.063801 (E_RNA)
where:
Base-Base interactions energy: -40.345
where: short stacking energy: -20.925
Base-Backbone interact. energy: -0.339
local terms energy: -60.379627
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: 1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -294.565081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.565081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.565081 (E_RNA)
where:
Base-Base interactions energy: -199.369
where: short stacking energy: -89.031
Base-Backbone interact. energy: -0.077
local terms energy: -95.118783
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -24.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -285.039586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.039586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.039586 (E_RNA)
where:
Base-Base interactions energy: -182.504
where: short stacking energy: -85.588
Base-Backbone interact. energy: -0.037
local terms energy: -102.498817
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -29.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -291.385199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.385199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.385199 (E_RNA)
where:
Base-Base interactions energy: -194.795
where: short stacking energy: -84.566
Base-Backbone interact. energy: -0.543
local terms energy: -96.047219
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -26.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -266.209120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.209120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.209120 (E_RNA)
where:
Base-Base interactions energy: -187.535
where: short stacking energy: -80.716
Base-Backbone interact. energy: -0.133
local terms energy: -78.541321
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -251.248939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.248939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.248939 (E_RNA)
where:
Base-Base interactions energy: -164.493
where: short stacking energy: -81.988
Base-Backbone interact. energy: -0.002
local terms energy: -86.754825
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -13.737
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: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -252.439769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.439769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.439769 (E_RNA)
where:
Base-Base interactions energy: -168.711
where: short stacking energy: -74.510
Base-Backbone interact. energy: -3.298
local terms energy: -80.430470
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -232.864910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.864910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.864910 (E_RNA)
where:
Base-Base interactions energy: -154.853
where: short stacking energy: -67.462
Base-Backbone interact. energy: -0.065
local terms energy: -77.947108
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -95.742459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.742459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.742459 (E_RNA)
where:
Base-Base interactions energy: -31.434
where: short stacking energy: -31.434
Base-Backbone interact. energy: -0.142
local terms energy: -64.166456
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -1.810
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: 362
Temperature: 1.300000
Total energy: -99.357888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.357888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.357888 (E_RNA)
where:
Base-Base interactions energy: -40.612
where: short stacking energy: -34.748
Base-Backbone interact. energy: 0.912
local terms energy: -59.657789
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -91.596719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.596719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.596719 (E_RNA)
where:
Base-Base interactions energy: -32.958
where: short stacking energy: -32.958
Base-Backbone interact. energy: -0.344
local terms energy: -58.294996
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -10.196
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: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -289.280514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.280514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.280514 (E_RNA)
where:
Base-Base interactions energy: -189.224
where: short stacking energy: -88.003
Base-Backbone interact. energy: -1.190
local terms energy: -98.865873
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -25.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -283.751845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.751845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.751845 (E_RNA)
where:
Base-Base interactions energy: -184.471
where: short stacking energy: -88.494
Base-Backbone interact. energy: -0.000
local terms energy: -99.280841
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -13.991
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: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -277.968516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.968516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.968516 (E_RNA)
where:
Base-Base interactions energy: -190.370
where: short stacking energy: -76.811
Base-Backbone interact. energy: -1.081
local terms energy: -86.518136
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -21.988
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: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -271.945508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.945508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.945508 (E_RNA)
where:
Base-Base interactions energy: -181.057
where: short stacking energy: -68.395
Base-Backbone interact. energy: -0.142
local terms energy: -90.746536
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -14.380
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: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -270.868387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.868387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.868387 (E_RNA)
where:
Base-Base interactions energy: -187.343
where: short stacking energy: -78.829
Base-Backbone interact. energy: -0.199
local terms energy: -83.326608
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -10.593
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: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -246.384822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.384822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.384822 (E_RNA)
where:
Base-Base interactions energy: -156.606
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.912
local terms energy: -88.866223
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -260.064088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.064088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.064088 (E_RNA)
where:
Base-Base interactions energy: -172.873
where: short stacking energy: -73.469
Base-Backbone interact. energy: 0.933
local terms energy: -88.124241
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -25.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -98.743939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.743939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.743939 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -34.881
Base-Backbone interact. energy: 0.827
local terms energy: -51.564535
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -9.884
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: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -104.845708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.845708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.845708 (E_RNA)
where:
Base-Base interactions energy: -46.088
where: short stacking energy: -23.205
Base-Backbone interact. energy: -0.308
local terms energy: -58.449155
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -84.575066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.575066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.575066 (E_RNA)
where:
Base-Base interactions energy: -28.784
where: short stacking energy: -21.325
Base-Backbone interact. energy: -0.569
local terms energy: -55.221632
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: 6.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -278.405227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.405227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.405227 (E_RNA)
where:
Base-Base interactions energy: -180.680
where: short stacking energy: -82.255
Base-Backbone interact. energy: -0.288
local terms energy: -97.436849
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -24.620
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: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -282.956225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.956225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.956225 (E_RNA)
where:
Base-Base interactions energy: -188.340
where: short stacking energy: -86.116
Base-Backbone interact. energy: -0.113
local terms energy: -94.503819
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -14.948
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: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -282.072665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.072665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.072665 (E_RNA)
where:
Base-Base interactions energy: -189.137
where: short stacking energy: -85.805
Base-Backbone interact. energy: -2.105
local terms energy: -90.831264
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -26.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -269.956908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.956908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.956908 (E_RNA)
where:
Base-Base interactions energy: -183.366
where: short stacking energy: -87.691
Base-Backbone interact. energy: -0.030
local terms energy: -86.561519
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -25.353
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: 364
Temperature: 1.100000
Total energy: -283.604499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.604499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.604499 (E_RNA)
where:
Base-Base interactions energy: -200.173
where: short stacking energy: -90.986
Base-Backbone interact. energy: -0.104
local terms energy: -83.327784
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -26.235
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: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -230.410975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.410975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.410975 (E_RNA)
where:
Base-Base interactions energy: -150.128
where: short stacking energy: -66.484
Base-Backbone interact. energy: -1.273
local terms energy: -79.009851
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -229.459742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.459742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.459742 (E_RNA)
where:
Base-Base interactions energy: -150.694
where: short stacking energy: -65.104
Base-Backbone interact. energy: -0.113
local terms energy: -78.653048
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -102.127404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.127404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.127404 (E_RNA)
where:
Base-Base interactions energy: -38.765
where: short stacking energy: -38.765
Base-Backbone interact. energy: -0.161
local terms energy: -63.201013
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -93.892870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.892870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.892870 (E_RNA)
where:
Base-Base interactions energy: -36.504
where: short stacking energy: -20.788
Base-Backbone interact. energy: -0.417
local terms energy: -56.971774
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -114.220479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.220479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.220479 (E_RNA)
where:
Base-Base interactions energy: -55.147
where: short stacking energy: -31.318
Base-Backbone interact. energy: -0.426
local terms energy: -58.647179
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: 0.739
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: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -286.210569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.210569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.210569 (E_RNA)
where:
Base-Base interactions energy: -188.055
where: short stacking energy: -79.356
Base-Backbone interact. energy: -0.012
local terms energy: -98.143893
where:
bonds (distance) C4'-P energy: -19.113
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -26.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -287.203568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.203568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.203568 (E_RNA)
where:
Base-Base interactions energy: -188.485
where: short stacking energy: -89.072
Base-Backbone interact. energy: -2.303
local terms energy: -96.415989
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -10.494
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: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -282.350563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.350563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.350563 (E_RNA)
where:
Base-Base interactions energy: -190.098
where: short stacking energy: -90.700
Base-Backbone interact. energy: -0.191
local terms energy: -92.061723
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -21.370
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -26.386
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: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -277.812697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.812697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.812697 (E_RNA)
where:
Base-Base interactions energy: -188.010
where: short stacking energy: -95.180
Base-Backbone interact. energy: -0.044
local terms energy: -89.758170
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -254.908878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.908878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.908878 (E_RNA)
where:
Base-Base interactions energy: -169.693
where: short stacking energy: -71.207
Base-Backbone interact. energy: -0.349
local terms energy: -84.866977
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -10.459
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: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -260.077237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.077237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.077237 (E_RNA)
where:
Base-Base interactions energy: -175.958
where: short stacking energy: -74.856
Base-Backbone interact. energy: -0.003
local terms energy: -84.115618
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -7.010
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: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -243.941941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.941941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.941941 (E_RNA)
where:
Base-Base interactions energy: -168.123
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.337
local terms energy: -75.481507
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -9.027
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: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -103.785182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.785182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.785182 (E_RNA)
where:
Base-Base interactions energy: -37.473
where: short stacking energy: -36.602
Base-Backbone interact. energy: 0.631
local terms energy: -66.943624
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -87.009615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.009615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.009615 (E_RNA)
where:
Base-Base interactions energy: -31.996
where: short stacking energy: -31.996
Base-Backbone interact. energy: -0.876
local terms energy: -54.137589
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -12.091
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: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -93.290135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.290135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.290135 (E_RNA)
where:
Base-Base interactions energy: -33.826
where: short stacking energy: -27.933
Base-Backbone interact. energy: 0.575
local terms energy: -60.039955
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -293.639103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.639103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.639103 (E_RNA)
where:
Base-Base interactions energy: -201.083
where: short stacking energy: -81.169
Base-Backbone interact. energy: 0.112
local terms energy: -92.667902
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -24.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -276.405878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.405878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.405878 (E_RNA)
where:
Base-Base interactions energy: -178.463
where: short stacking energy: -82.760
Base-Backbone interact. energy: -0.150
local terms energy: -97.793462
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -23.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -267.588298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.588298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.588298 (E_RNA)
where:
Base-Base interactions energy: -181.140
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.298
local terms energy: -86.149832
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -270.899431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.899431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.899431 (E_RNA)
where:
Base-Base interactions energy: -181.337
where: short stacking energy: -80.260
Base-Backbone interact. energy: -0.187
local terms energy: -89.375759
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.650
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: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -276.206199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.206199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.206199 (E_RNA)
where:
Base-Base interactions energy: -186.451
where: short stacking energy: -78.818
Base-Backbone interact. energy: -0.016
local terms energy: -89.739392
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -21.681
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -27.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -260.016107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.016107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.016107 (E_RNA)
where:
Base-Base interactions energy: -178.596
where: short stacking energy: -75.509
Base-Backbone interact. energy: -0.034
local terms energy: -81.386317
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -13.048
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: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -241.748326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.748326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.748326 (E_RNA)
where:
Base-Base interactions energy: -163.875
where: short stacking energy: -73.638
Base-Backbone interact. energy: -0.215
local terms energy: -77.657894
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -99.368461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.368461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.368461 (E_RNA)
where:
Base-Base interactions energy: -30.957
where: short stacking energy: -28.864
Base-Backbone interact. energy: 1.208
local terms energy: -69.619510
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -20.229
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -7.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -83.546336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.546336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.546336 (E_RNA)
where:
Base-Base interactions energy: -21.606
where: short stacking energy: -18.854
Base-Backbone interact. energy: -0.082
local terms energy: -61.858028
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -91.437918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.437918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.437918 (E_RNA)
where:
Base-Base interactions energy: -40.308
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.082
local terms energy: -51.048680
where:
bonds (distance) C4'-P energy: -4.809
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -11.376
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: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -301.154104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.154104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.154104 (E_RNA)
where:
Base-Base interactions energy: -204.954
where: short stacking energy: -87.159
Base-Backbone interact. energy: -0.723
local terms energy: -95.477243
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -291.490085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.490085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.490085 (E_RNA)
where:
Base-Base interactions energy: -195.688
where: short stacking energy: -77.528
Base-Backbone interact. energy: -0.101
local terms energy: -95.701084
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -279.698739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.698739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.698739 (E_RNA)
where:
Base-Base interactions energy: -194.589
where: short stacking energy: -73.558
Base-Backbone interact. energy: -0.174
local terms energy: -84.935592
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -276.575062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.575062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.575062 (E_RNA)
where:
Base-Base interactions energy: -186.467
where: short stacking energy: -87.965
Base-Backbone interact. energy: 0.911
local terms energy: -91.019238
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -29.090
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: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -286.902871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.902871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.902871 (E_RNA)
where:
Base-Base interactions energy: -202.418
where: short stacking energy: -78.583
Base-Backbone interact. energy: -0.018
local terms energy: -84.467710
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -23.768
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: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -239.745337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.745337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.745337 (E_RNA)
where:
Base-Base interactions energy: -160.090
where: short stacking energy: -62.718
Base-Backbone interact. energy: -0.066
local terms energy: -79.588753
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -246.839678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.839678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.839678 (E_RNA)
where:
Base-Base interactions energy: -162.286
where: short stacking energy: -71.927
Base-Backbone interact. energy: -0.069
local terms energy: -84.485059
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -22.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -97.095698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.095698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.095698 (E_RNA)
where:
Base-Base interactions energy: -29.066
where: short stacking energy: -28.646
Base-Backbone interact. energy: -0.787
local terms energy: -67.242570
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -4.997
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: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -94.114220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.114220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.114220 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -36.452
Base-Backbone interact. energy: -0.214
local terms energy: -57.447676
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -8.277
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -89.198268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.198268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.198268 (E_RNA)
where:
Base-Base interactions energy: -27.945
where: short stacking energy: -27.945
Base-Backbone interact. energy: -0.312
local terms energy: -60.942110
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -12.375
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: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -294.171960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.171960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.171960 (E_RNA)
where:
Base-Base interactions energy: -200.760
where: short stacking energy: -88.119
Base-Backbone interact. energy: -0.089
local terms energy: -93.323406
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -25.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -286.188677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.188677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.188677 (E_RNA)
where:
Base-Base interactions energy: -194.781
where: short stacking energy: -74.904
Base-Backbone interact. energy: -0.098
local terms energy: -91.309740
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -22.423
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: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -278.156713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.156713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.156713 (E_RNA)
where:
Base-Base interactions energy: -187.217
where: short stacking energy: -82.308
Base-Backbone interact. energy: -0.047
local terms energy: -90.893315
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -22.959
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: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -275.219792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.219792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.219792 (E_RNA)
where:
Base-Base interactions energy: -185.358
where: short stacking energy: -77.170
Base-Backbone interact. energy: -0.140
local terms energy: -89.721660
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -26.286
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: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -284.107039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.107039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.107039 (E_RNA)
where:
Base-Base interactions energy: -194.368
where: short stacking energy: -88.666
Base-Backbone interact. energy: -0.001
local terms energy: -89.738029
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -27.122
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: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -257.864196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.864196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.864196 (E_RNA)
where:
Base-Base interactions energy: -168.912
where: short stacking energy: -72.146
Base-Backbone interact. energy: -0.726
local terms energy: -88.226180
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -251.194589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.194589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.194589 (E_RNA)
where:
Base-Base interactions energy: -177.342
where: short stacking energy: -78.417
Base-Backbone interact. energy: -0.813
local terms energy: -73.039063
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -103.805452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.805452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.805452 (E_RNA)
where:
Base-Base interactions energy: -45.757
where: short stacking energy: -33.891
Base-Backbone interact. energy: -0.292
local terms energy: -57.756340
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -4.270
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: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -134.868378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.868378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.868378 (E_RNA)
where:
Base-Base interactions energy: -73.820
where: short stacking energy: -47.893
Base-Backbone interact. energy: -0.058
local terms energy: -60.990353
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -96.687854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.687854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.687854 (E_RNA)
where:
Base-Base interactions energy: -41.147
where: short stacking energy: -27.845
Base-Backbone interact. energy: -0.298
local terms energy: -55.242664
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -2.395
tors. eta vs tors. theta energy: 0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -298.601994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.601994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.601994 (E_RNA)
where:
Base-Base interactions energy: -203.707
where: short stacking energy: -86.215
Base-Backbone interact. energy: -0.053
local terms energy: -94.842183
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -301.794309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.794309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.794309 (E_RNA)
where:
Base-Base interactions energy: -202.193
where: short stacking energy: -85.068
Base-Backbone interact. energy: -0.024
local terms energy: -99.577085
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -24.170
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -24.784
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: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -277.368067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.368067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.368067 (E_RNA)
where:
Base-Base interactions energy: -187.909
where: short stacking energy: -79.530
Base-Backbone interact. energy: 0.023
local terms energy: -89.481830
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -25.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -274.298349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.298349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.298349 (E_RNA)
where:
Base-Base interactions energy: -181.821
where: short stacking energy: -83.992
Base-Backbone interact. energy: 0.162
local terms energy: -92.640001
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -26.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -243.304294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.304294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.304294 (E_RNA)
where:
Base-Base interactions energy: -156.627
where: short stacking energy: -70.886
Base-Backbone interact. energy: -0.064
local terms energy: -86.613115
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -11.758
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: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -259.028984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.028984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.028984 (E_RNA)
where:
Base-Base interactions energy: -173.606
where: short stacking energy: -70.800
Base-Backbone interact. energy: -0.129
local terms energy: -85.294320
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -22.689
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: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -248.291523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.291523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.291523 (E_RNA)
where:
Base-Base interactions energy: -159.963
where: short stacking energy: -75.103
Base-Backbone interact. energy: -0.238
local terms energy: -88.090898
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -21.592
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: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -106.932428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.932428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.932428 (E_RNA)
where:
Base-Base interactions energy: -57.629
where: short stacking energy: -33.118
Base-Backbone interact. energy: 0.757
local terms energy: -50.061089
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -2.670
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: 2
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -98.338645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.338645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.338645 (E_RNA)
where:
Base-Base interactions energy: -44.391
where: short stacking energy: -29.351
Base-Backbone interact. energy: -0.068
local terms energy: -53.878832
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -5.219
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -86.891778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.891778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.891778 (E_RNA)
where:
Base-Base interactions energy: -31.545
where: short stacking energy: -25.305
Base-Backbone interact. energy: -0.358
local terms energy: -54.988267
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -298.185864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.185864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.185864 (E_RNA)
where:
Base-Base interactions energy: -204.946
where: short stacking energy: -83.161
Base-Backbone interact. energy: -0.431
local terms energy: -92.808851
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -14.348
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: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -293.100923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.100923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.100923 (E_RNA)
where:
Base-Base interactions energy: -201.509
where: short stacking energy: -79.881
Base-Backbone interact. energy: -0.014
local terms energy: -91.577609
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -271.940944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.940944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.940944 (E_RNA)
where:
Base-Base interactions energy: -176.438
where: short stacking energy: -82.433
Base-Backbone interact. energy: -0.865
local terms energy: -94.637684
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -23.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -268.910308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.910308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.910308 (E_RNA)
where:
Base-Base interactions energy: -175.459
where: short stacking energy: -83.057
Base-Backbone interact. energy: 0.181
local terms energy: -93.632377
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -13.576
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: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -271.044561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.044561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.044561 (E_RNA)
where:
Base-Base interactions energy: -182.422
where: short stacking energy: -73.774
Base-Backbone interact. energy: -0.059
local terms energy: -88.564012
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -11.908
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: 6, replica: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -246.809132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.809132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.809132 (E_RNA)
where:
Base-Base interactions energy: -159.686
where: short stacking energy: -79.106
Base-Backbone interact. energy: -0.457
local terms energy: -86.666823
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -237.593229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.593229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.593229 (E_RNA)
where:
Base-Base interactions energy: -155.529
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.065
local terms energy: -81.998657
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -16.792
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: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -95.604800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.604800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.604800 (E_RNA)
where:
Base-Base interactions energy: -43.636
where: short stacking energy: -31.611
Base-Backbone interact. energy: -0.105
local terms energy: -51.864003
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -7.435
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -2.874
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: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -101.366434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.366434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.366434 (E_RNA)
where:
Base-Base interactions energy: -35.488
where: short stacking energy: -31.994
Base-Backbone interact. energy: -0.390
local terms energy: -65.489078
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -86.925079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.925079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.925079 (E_RNA)
where:
Base-Base interactions energy: -33.064
where: short stacking energy: -26.087
Base-Backbone interact. energy: -1.340
local terms energy: -52.521611
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -293.362889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.362889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.362889 (E_RNA)
where:
Base-Base interactions energy: -201.083
where: short stacking energy: -84.752
Base-Backbone interact. energy: -0.075
local terms energy: -92.204814
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -22.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -292.069065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.069065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.069065 (E_RNA)
where:
Base-Base interactions energy: -200.543
where: short stacking energy: -85.261
Base-Backbone interact. energy: -0.055
local terms energy: -91.471031
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -287.048934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.048934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.048934 (E_RNA)
where:
Base-Base interactions energy: -195.136
where: short stacking energy: -89.371
Base-Backbone interact. energy: -0.006
local terms energy: -91.907158
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -28.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -281.713843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.713843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.713843 (E_RNA)
where:
Base-Base interactions energy: -190.399
where: short stacking energy: -81.089
Base-Backbone interact. energy: -0.073
local terms energy: -91.241855
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -13.532
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: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -267.086366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.086366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.086366 (E_RNA)
where:
Base-Base interactions energy: -176.859
where: short stacking energy: -72.914
Base-Backbone interact. energy: -0.025
local terms energy: -90.202289
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -20.882
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: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -243.337544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.337544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.337544 (E_RNA)
where:
Base-Base interactions energy: -163.346
where: short stacking energy: -73.485
Base-Backbone interact. energy: -0.255
local terms energy: -79.735718
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -216.416968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.416968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.416968 (E_RNA)
where:
Base-Base interactions energy: -145.018
where: short stacking energy: -66.243
Base-Backbone interact. energy: -0.274
local terms energy: -71.124675
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -91.892117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.892117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.892117 (E_RNA)
where:
Base-Base interactions energy: -37.365
where: short stacking energy: -37.137
Base-Backbone interact. energy: -0.269
local terms energy: -54.258176
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: 1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -94.105292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.105292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.105292 (E_RNA)
where:
Base-Base interactions energy: -36.362
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.021
local terms energy: -57.722707
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -77.346442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.346442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.346442 (E_RNA)
where:
Base-Base interactions energy: -28.848
where: short stacking energy: -25.005
Base-Backbone interact. energy: 0.822
local terms energy: -49.320343
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -1.956
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -292.091932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.091932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.091932 (E_RNA)
where:
Base-Base interactions energy: -198.391
where: short stacking energy: -86.583
Base-Backbone interact. energy: -0.002
local terms energy: -93.698886
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -23.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -287.457549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.457549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.457549 (E_RNA)
where:
Base-Base interactions energy: -196.883
where: short stacking energy: -80.189
Base-Backbone interact. energy: -0.029
local terms energy: -90.545880
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -10.170
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: 3, replica: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -282.555029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.555029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.555029 (E_RNA)
where:
Base-Base interactions energy: -195.255
where: short stacking energy: -82.799
Base-Backbone interact. energy: -0.104
local terms energy: -87.196438
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -12.013
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: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -274.382339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.382339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.382339 (E_RNA)
where:
Base-Base interactions energy: -179.411
where: short stacking energy: -83.305
Base-Backbone interact. energy: -1.190
local terms energy: -93.781655
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -25.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -278.386944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.386944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.386944 (E_RNA)
where:
Base-Base interactions energy: -186.987
where: short stacking energy: -77.052
Base-Backbone interact. energy: -0.042
local terms energy: -91.357968
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -255.493182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.493182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.493182 (E_RNA)
where:
Base-Base interactions energy: -170.836
where: short stacking energy: -70.956
Base-Backbone interact. energy: 0.036
local terms energy: -84.693147
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -22.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -225.722703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.722703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.722703 (E_RNA)
where:
Base-Base interactions energy: -147.430
where: short stacking energy: -68.084
Base-Backbone interact. energy: -0.298
local terms energy: -77.994918
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -109.108482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.108482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.108482 (E_RNA)
where:
Base-Base interactions energy: -39.772
where: short stacking energy: -29.832
Base-Backbone interact. energy: -0.899
local terms energy: -68.437704
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -89.377095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.377095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.377095 (E_RNA)
where:
Base-Base interactions energy: -34.636
where: short stacking energy: -24.923
Base-Backbone interact. energy: 0.045
local terms energy: -54.786369
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -94.620508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.620508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.620508 (E_RNA)
where:
Base-Base interactions energy: -34.080
where: short stacking energy: -32.296
Base-Backbone interact. energy: -0.194
local terms energy: -60.346190
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -9.533
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: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -301.876892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.876892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.876892 (E_RNA)
where:
Base-Base interactions energy: -205.503
where: short stacking energy: -87.229
Base-Backbone interact. energy: -0.044
local terms energy: -96.330291
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -15.283
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: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -298.399739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.399739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.399739 (E_RNA)
where:
Base-Base interactions energy: -208.848
where: short stacking energy: -88.153
Base-Backbone interact. energy: -0.101
local terms energy: -89.450223
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -26.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -274.843298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.843298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.843298 (E_RNA)
where:
Base-Base interactions energy: -178.163
where: short stacking energy: -86.830
Base-Backbone interact. energy: -0.052
local terms energy: -96.628029
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -14.836
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: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -282.793324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.793324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.793324 (E_RNA)
where:
Base-Base interactions energy: -196.631
where: short stacking energy: -80.747
Base-Backbone interact. energy: -0.007
local terms energy: -86.155241
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -243.411216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.411216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.411216 (E_RNA)
where:
Base-Base interactions energy: -157.626
where: short stacking energy: -72.968
Base-Backbone interact. energy: -0.032
local terms energy: -85.752727
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -265.512748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.512748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.512748 (E_RNA)
where:
Base-Base interactions energy: -183.041
where: short stacking energy: -70.488
Base-Backbone interact. energy: -0.060
local terms energy: -82.411756
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -242.417617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.417617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.417617 (E_RNA)
where:
Base-Base interactions energy: -163.353
where: short stacking energy: -66.936
Base-Backbone interact. energy: 0.085
local terms energy: -79.150486
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -21.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -102.076910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.076910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.076910 (E_RNA)
where:
Base-Base interactions energy: -44.567
where: short stacking energy: -30.189
Base-Backbone interact. energy: 0.254
local terms energy: -57.763375
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -83.060955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.060955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.060955 (E_RNA)
where:
Base-Base interactions energy: -31.496
where: short stacking energy: -24.098
Base-Backbone interact. energy: 1.057
local terms energy: -52.622440
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: 4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -96.208393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.208393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.208393 (E_RNA)
where:
Base-Base interactions energy: -32.698
where: short stacking energy: -29.658
Base-Backbone interact. energy: -0.636
local terms energy: -62.874312
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -293.311189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.311189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.311189 (E_RNA)
where:
Base-Base interactions energy: -201.875
where: short stacking energy: -85.014
Base-Backbone interact. energy: -0.006
local terms energy: -91.429622
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -5.440
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: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -290.572307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.572307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.572307 (E_RNA)
where:
Base-Base interactions energy: -198.928
where: short stacking energy: -79.061
Base-Backbone interact. energy: -0.054
local terms energy: -91.590913
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -24.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -276.292925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.292925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.292925 (E_RNA)
where:
Base-Base interactions energy: -190.211
where: short stacking energy: -67.930
Base-Backbone interact. energy: -0.035
local terms energy: -86.046416
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -15.736
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: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -280.945032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.945032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.945032 (E_RNA)
where:
Base-Base interactions energy: -188.339
where: short stacking energy: -78.810
Base-Backbone interact. energy: -0.132
local terms energy: -92.474182
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -28.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -266.073175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.073175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.073175 (E_RNA)
where:
Base-Base interactions energy: -173.356
where: short stacking energy: -73.749
Base-Backbone interact. energy: -0.359
local terms energy: -92.358338
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -20.709
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: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -248.878919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.878919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.878919 (E_RNA)
where:
Base-Base interactions energy: -162.510
where: short stacking energy: -61.699
Base-Backbone interact. energy: -0.149
local terms energy: -86.220330
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -245.618778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.618778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.618778 (E_RNA)
where:
Base-Base interactions energy: -161.547
where: short stacking energy: -78.493
Base-Backbone interact. energy: -1.477
local terms energy: -82.594889
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -23.084
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: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -94.212608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.212608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.212608 (E_RNA)
where:
Base-Base interactions energy: -42.297
where: short stacking energy: -34.186
Base-Backbone interact. energy: -0.257
local terms energy: -51.658987
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -2.390
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: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -92.108773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.108773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.108773 (E_RNA)
where:
Base-Base interactions energy: -37.134
where: short stacking energy: -33.844
Base-Backbone interact. energy: 0.464
local terms energy: -55.438772
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -88.660573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.660573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.660573 (E_RNA)
where:
Base-Base interactions energy: -28.961
where: short stacking energy: -28.961
Base-Backbone interact. energy: -0.017
local terms energy: -59.682552
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -296.907729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.907729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.907729 (E_RNA)
where:
Base-Base interactions energy: -206.024
where: short stacking energy: -84.199
Base-Backbone interact. energy: 0.133
local terms energy: -91.017403
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -21.242
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: 375
Temperature: 0.950000
Total energy: -287.341261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.341261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.341261 (E_RNA)
where:
Base-Base interactions energy: -195.484
where: short stacking energy: -79.513
Base-Backbone interact. energy: -0.775
local terms energy: -91.082261
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -23.087
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: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -282.322142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.322142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.322142 (E_RNA)
where:
Base-Base interactions energy: -191.201
where: short stacking energy: -74.668
Base-Backbone interact. energy: -0.004
local terms energy: -91.117542
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -22.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -255.365929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.365929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.365929 (E_RNA)
where:
Base-Base interactions energy: -168.971
where: short stacking energy: -69.675
Base-Backbone interact. energy: -0.226
local terms energy: -86.169129
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -13.983
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: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -278.684943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.684943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.684943 (E_RNA)
where:
Base-Base interactions energy: -193.036
where: short stacking energy: -84.396
Base-Backbone interact. energy: -0.015
local terms energy: -85.634294
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -16.735
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: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -258.222534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.222534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.222534 (E_RNA)
where:
Base-Base interactions energy: -177.958
where: short stacking energy: -80.056
Base-Backbone interact. energy: -0.032
local terms energy: -80.232678
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -221.371196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.371196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.371196 (E_RNA)
where:
Base-Base interactions energy: -142.925
where: short stacking energy: -61.714
Base-Backbone interact. energy: -0.108
local terms energy: -78.338021
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -18.739
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: 375
Temperature: 1.250000
Total energy: -93.941687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.941687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.941687 (E_RNA)
where:
Base-Base interactions energy: -30.432
where: short stacking energy: -28.444
Base-Backbone interact. energy: -0.205
local terms energy: -63.304298
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -95.461498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.461498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.461498 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -26.650
Base-Backbone interact. energy: -0.239
local terms energy: -58.525199
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: 2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -92.843205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.843205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.843205 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -27.765
Base-Backbone interact. energy: 0.596
local terms energy: -62.083508
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -6.325
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: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -290.280856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.280856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.280856 (E_RNA)
where:
Base-Base interactions energy: -197.155
where: short stacking energy: -85.888
Base-Backbone interact. energy: -0.073
local terms energy: -93.053185
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -26.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -295.630559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.630559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.630559 (E_RNA)
where:
Base-Base interactions energy: -207.041
where: short stacking energy: -90.213
Base-Backbone interact. energy: -0.021
local terms energy: -88.568814
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -14.300
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: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -254.267181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.267181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.267181 (E_RNA)
where:
Base-Base interactions energy: -173.362
where: short stacking energy: -67.774
Base-Backbone interact. energy: -0.166
local terms energy: -80.738431
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -15.675
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: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -277.758706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.758706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.758706 (E_RNA)
where:
Base-Base interactions energy: -192.957
where: short stacking energy: -81.263
Base-Backbone interact. energy: -0.346
local terms energy: -84.455855
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -22.789
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: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -263.361463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.361463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.361463 (E_RNA)
where:
Base-Base interactions energy: -179.175
where: short stacking energy: -69.256
Base-Backbone interact. energy: -0.036
local terms energy: -84.150660
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -235.429157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.429157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.429157 (E_RNA)
where:
Base-Base interactions energy: -162.601
where: short stacking energy: -60.816
Base-Backbone interact. energy: 0.213
local terms energy: -73.041028
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -10.608
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: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -227.293196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.293196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.293196 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -63.274
Base-Backbone interact. energy: -0.970
local terms energy: -80.814979
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -10.035
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: 8, replica: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -95.239313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.239313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.239313 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -33.286
Base-Backbone interact. energy: 1.204
local terms energy: -63.158066
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -14.122
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: 9, replica: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -89.720165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.720165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.720165 (E_RNA)
where:
Base-Base interactions energy: -34.113
where: short stacking energy: -34.113
Base-Backbone interact. energy: -0.128
local terms energy: -55.479294
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -92.731251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.731251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.731251 (E_RNA)
where:
Base-Base interactions energy: -30.939
where: short stacking energy: -15.730
Base-Backbone interact. energy: -0.314
local terms energy: -61.478927
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -289.712475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.712475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.712475 (E_RNA)
where:
Base-Base interactions energy: -189.294
where: short stacking energy: -87.202
Base-Backbone interact. energy: -0.090
local terms energy: -100.328184
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -29.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -294.062855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.062855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.062855 (E_RNA)
where:
Base-Base interactions energy: -204.496
where: short stacking energy: -85.235
Base-Backbone interact. energy: -0.069
local terms energy: -89.498073
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -259.966822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.966822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.966822 (E_RNA)
where:
Base-Base interactions energy: -173.059
where: short stacking energy: -81.004
Base-Backbone interact. energy: -0.043
local terms energy: -86.865420
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -10.687
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: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -267.355824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.355824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.355824 (E_RNA)
where:
Base-Base interactions energy: -184.813
where: short stacking energy: -79.143
Base-Backbone interact. energy: -0.176
local terms energy: -82.366623
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -23.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -272.528018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.528018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.528018 (E_RNA)
where:
Base-Base interactions energy: -195.482
where: short stacking energy: -78.126
Base-Backbone interact. energy: 0.427
local terms energy: -77.473028
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -249.844455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.844455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.844455 (E_RNA)
where:
Base-Base interactions energy: -167.920
where: short stacking energy: -62.488
Base-Backbone interact. energy: -0.256
local terms energy: -81.668351
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -243.882223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.882223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.882223 (E_RNA)
where:
Base-Base interactions energy: -155.718
where: short stacking energy: -68.109
Base-Backbone interact. energy: -1.655
local terms energy: -86.509743
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -14.693
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: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -97.311114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.311114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.311114 (E_RNA)
where:
Base-Base interactions energy: -31.456
where: short stacking energy: -24.098
Base-Backbone interact. energy: -1.097
local terms energy: -64.759039
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: 1.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -98.799250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.799250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.799250 (E_RNA)
where:
Base-Base interactions energy: -39.088
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.473
local terms energy: -59.238345
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -1.264
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: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -100.318355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.318355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.318355 (E_RNA)
where:
Base-Base interactions energy: -39.594
where: short stacking energy: -33.434
Base-Backbone interact. energy: -0.049
local terms energy: -60.675455
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: 0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -302.568234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.568234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.568234 (E_RNA)
where:
Base-Base interactions energy: -218.084
where: short stacking energy: -95.295
Base-Backbone interact. energy: -0.029
local terms energy: -84.454746
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -25.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -285.130546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.130546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.130546 (E_RNA)
where:
Base-Base interactions energy: -187.246
where: short stacking energy: -90.706
Base-Backbone interact. energy: -0.045
local terms energy: -97.839778
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -16.750
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: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -259.751249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.751249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.751249 (E_RNA)
where:
Base-Base interactions energy: -173.931
where: short stacking energy: -62.838
Base-Backbone interact. energy: -1.148
local terms energy: -84.671944
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -263.310596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.310596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.310596 (E_RNA)
where:
Base-Base interactions energy: -175.884
where: short stacking energy: -75.880
Base-Backbone interact. energy: -0.411
local terms energy: -87.015289
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -247.063249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.063249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.063249 (E_RNA)
where:
Base-Base interactions energy: -166.369
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.140
local terms energy: -80.553677
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -237.058023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.058023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.058023 (E_RNA)
where:
Base-Base interactions energy: -162.505
where: short stacking energy: -62.603
Base-Backbone interact. energy: -0.220
local terms energy: -74.333358
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -16.873
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: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -230.952391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.952391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.952391 (E_RNA)
where:
Base-Base interactions energy: -161.420
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.301
local terms energy: -69.230789
where:
bonds (distance) C4'-P energy: -5.070
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -103.149530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.149530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.149530 (E_RNA)
where:
Base-Base interactions energy: -40.404
where: short stacking energy: -35.139
Base-Backbone interact. energy: 0.235
local terms energy: -62.980756
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -98.535541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.535541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.535541 (E_RNA)
where:
Base-Base interactions energy: -47.960
where: short stacking energy: -35.672
Base-Backbone interact. energy: -0.311
local terms energy: -50.265392
where:
bonds (distance) C4'-P energy: -9.385
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -92.136966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.136966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.136966 (E_RNA)
where:
Base-Base interactions energy: -33.116
where: short stacking energy: -33.116
Base-Backbone interact. energy: -0.165
local terms energy: -58.856143
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -284.718760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.718760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.718760 (E_RNA)
where:
Base-Base interactions energy: -189.249
where: short stacking energy: -78.464
Base-Backbone interact. energy: -0.105
local terms energy: -95.364478
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -23.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -284.507215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.507215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.507215 (E_RNA)
where:
Base-Base interactions energy: -184.987
where: short stacking energy: -93.630
Base-Backbone interact. energy: -0.051
local terms energy: -99.469175
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -28.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -283.962946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.962946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.962946 (E_RNA)
where:
Base-Base interactions energy: -196.093
where: short stacking energy: -86.189
Base-Backbone interact. energy: -0.140
local terms energy: -87.730300
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -23.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -280.415612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.415612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.415612 (E_RNA)
where:
Base-Base interactions energy: -187.020
where: short stacking energy: -78.688
Base-Backbone interact. energy: -0.262
local terms energy: -93.133823
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -15.474
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: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -271.887672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.887672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.887672 (E_RNA)
where:
Base-Base interactions energy: -182.749
where: short stacking energy: -74.018
Base-Backbone interact. energy: -0.395
local terms energy: -88.743998
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -27.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -242.372823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.372823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.372823 (E_RNA)
where:
Base-Base interactions energy: -154.473
where: short stacking energy: -63.683
Base-Backbone interact. energy: -0.201
local terms energy: -87.698817
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -9.924
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: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -256.046713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.046713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.046713 (E_RNA)
where:
Base-Base interactions energy: -177.601
where: short stacking energy: -62.984
Base-Backbone interact. energy: -0.099
local terms energy: -78.347009
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -18.256
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: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -99.831031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.831031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.831031 (E_RNA)
where:
Base-Base interactions energy: -39.485
where: short stacking energy: -24.932
Base-Backbone interact. energy: -0.867
local terms energy: -59.478806
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -7.641
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: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -96.102160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.102160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.102160 (E_RNA)
where:
Base-Base interactions energy: -35.797
where: short stacking energy: -31.366
Base-Backbone interact. energy: -0.391
local terms energy: -59.913942
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -94.745835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.745835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.745835 (E_RNA)
where:
Base-Base interactions energy: -44.041
where: short stacking energy: -25.560
Base-Backbone interact. energy: -0.132
local terms energy: -50.572399
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -7.815
flat angles P-C4'-P energy: -9.346
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: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -286.975436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.975436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.975436 (E_RNA)
where:
Base-Base interactions energy: -190.275
where: short stacking energy: -83.813
Base-Backbone interact. energy: -0.298
local terms energy: -96.402344
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -27.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -277.781403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.781403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.781403 (E_RNA)
where:
Base-Base interactions energy: -182.614
where: short stacking energy: -76.630
Base-Backbone interact. energy: -0.299
local terms energy: -94.868543
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -15.148
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: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -286.096369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.096369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.096369 (E_RNA)
where:
Base-Base interactions energy: -195.060
where: short stacking energy: -78.997
Base-Backbone interact. energy: -0.093
local terms energy: -90.943702
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -271.098170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.098170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.098170 (E_RNA)
where:
Base-Base interactions energy: -174.586
where: short stacking energy: -80.810
Base-Backbone interact. energy: -0.160
local terms energy: -96.351822
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -24.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -237.374974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.374974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.374974 (E_RNA)
where:
Base-Base interactions energy: -160.352
where: short stacking energy: -67.509
Base-Backbone interact. energy: -0.080
local terms energy: -76.943762
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -266.792695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.792695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.792695 (E_RNA)
where:
Base-Base interactions energy: -185.153
where: short stacking energy: -74.128
Base-Backbone interact. energy: -0.099
local terms energy: -81.540251
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -234.367614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.367614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.367614 (E_RNA)
where:
Base-Base interactions energy: -156.027
where: short stacking energy: -62.222
Base-Backbone interact. energy: -0.130
local terms energy: -78.210639
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -98.385157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.385157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.385157 (E_RNA)
where:
Base-Base interactions energy: -38.335
where: short stacking energy: -38.335
Base-Backbone interact. energy: -0.370
local terms energy: -59.680261
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -114.250020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.250020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.250020 (E_RNA)
where:
Base-Base interactions energy: -54.259
where: short stacking energy: -26.357
Base-Backbone interact. energy: -1.513
local terms energy: -58.478556
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -89.478556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.478556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.478556 (E_RNA)
where:
Base-Base interactions energy: -28.089
where: short stacking energy: -24.025
Base-Backbone interact. energy: 0.687
local terms energy: -62.076296
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -299.515033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.515033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.515033 (E_RNA)
where:
Base-Base interactions energy: -210.195
where: short stacking energy: -86.754
Base-Backbone interact. energy: -0.082
local terms energy: -89.238169
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -28.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -278.079175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.079175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.079175 (E_RNA)
where:
Base-Base interactions energy: -193.748
where: short stacking energy: -80.320
Base-Backbone interact. energy: 1.356
local terms energy: -85.686664
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -273.296767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.296767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.296767 (E_RNA)
where:
Base-Base interactions energy: -178.673
where: short stacking energy: -83.101
Base-Backbone interact. energy: -0.013
local terms energy: -94.610999
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -15.874
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: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -250.932983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.932983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.932983 (E_RNA)
where:
Base-Base interactions energy: -169.913
where: short stacking energy: -73.365
Base-Backbone interact. energy: -0.007
local terms energy: -81.013176
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -274.668414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.668414 (E_RNA)
where:
Base-Base interactions energy: -184.555
where: short stacking energy: -83.338
Base-Backbone interact. energy: -0.003
local terms energy: -90.110434
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -226.699624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.699624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.699624 (E_RNA)
where:
Base-Base interactions energy: -148.577
where: short stacking energy: -64.067
Base-Backbone interact. energy: -0.205
local terms energy: -77.917589
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -6.390
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: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -248.203953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.203953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.203953 (E_RNA)
where:
Base-Base interactions energy: -159.821
where: short stacking energy: -74.571
Base-Backbone interact. energy: -0.086
local terms energy: -88.296356
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -13.832
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: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -107.082617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.082617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.082617 (E_RNA)
where:
Base-Base interactions energy: -49.444
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.187
local terms energy: -57.451560
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -89.301099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.301099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.301099 (E_RNA)
where:
Base-Base interactions energy: -23.316
where: short stacking energy: -21.397
Base-Backbone interact. energy: -1.673
local terms energy: -64.311436
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -7.257
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: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -79.890657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.890657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.890657 (E_RNA)
where:
Base-Base interactions energy: -36.882
where: short stacking energy: -15.409
Base-Backbone interact. energy: 1.033
local terms energy: -44.041775
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: 6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -286.912643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.912643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.912643 (E_RNA)
where:
Base-Base interactions energy: -189.591
where: short stacking energy: -91.838
Base-Backbone interact. energy: 0.500
local terms energy: -97.821661
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -15.906
tors. eta vs tors. theta energy: -25.337
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: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -293.570329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.570329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.570329 (E_RNA)
where:
Base-Base interactions energy: -200.078
where: short stacking energy: -78.898
Base-Backbone interact. energy: -0.128
local terms energy: -93.364584
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -27.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -274.678253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.678253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.678253 (E_RNA)
where:
Base-Base interactions energy: -190.224
where: short stacking energy: -85.791
Base-Backbone interact. energy: -0.025
local terms energy: -84.428918
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -23.604
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: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -256.616240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.616240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.616240 (E_RNA)
where:
Base-Base interactions energy: -176.930
where: short stacking energy: -78.571
Base-Backbone interact. energy: -0.209
local terms energy: -79.477080
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -237.740377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.740377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.740377 (E_RNA)
where:
Base-Base interactions energy: -157.526
where: short stacking energy: -71.092
Base-Backbone interact. energy: -1.073
local terms energy: -79.141556
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -261.092250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.092250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.092250 (E_RNA)
where:
Base-Base interactions energy: -172.951
where: short stacking energy: -77.929
Base-Backbone interact. energy: -0.056
local terms energy: -88.085662
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -246.885875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.885875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.885875 (E_RNA)
where:
Base-Base interactions energy: -163.041
where: short stacking energy: -69.292
Base-Backbone interact. energy: -0.395
local terms energy: -83.450492
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -101.273165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.273165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.273165 (E_RNA)
where:
Base-Base interactions energy: -41.015
where: short stacking energy: -21.243
Base-Backbone interact. energy: -0.579
local terms energy: -59.679057
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -88.115435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.115435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.115435 (E_RNA)
where:
Base-Base interactions energy: -31.188
where: short stacking energy: -28.317
Base-Backbone interact. energy: -0.587
local terms energy: -56.340353
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -90.352987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.352987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.352987 (E_RNA)
where:
Base-Base interactions energy: -26.598
where: short stacking energy: -26.598
Base-Backbone interact. energy: -0.265
local terms energy: -63.490396
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -286.504064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.504064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.504064 (E_RNA)
where:
Base-Base interactions energy: -186.717
where: short stacking energy: -85.935
Base-Backbone interact. energy: -0.007
local terms energy: -99.780195
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -29.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -283.749755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.749755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.749755 (E_RNA)
where:
Base-Base interactions energy: -186.338
where: short stacking energy: -90.603
Base-Backbone interact. energy: -0.033
local terms energy: -97.378294
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -26.821
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: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -281.643427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.643427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.643427 (E_RNA)
where:
Base-Base interactions energy: -188.819
where: short stacking energy: -84.188
Base-Backbone interact. energy: -0.039
local terms energy: -92.784698
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -25.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -231.520257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.520257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.520257 (E_RNA)
where:
Base-Base interactions energy: -141.675
where: short stacking energy: -63.987
Base-Backbone interact. energy: 0.837
local terms energy: -90.682492
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -241.767696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.767696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.767696 (E_RNA)
where:
Base-Base interactions energy: -163.434
where: short stacking energy: -65.698
Base-Backbone interact. energy: -0.263
local terms energy: -78.070004
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -267.116879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.116879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.116879 (E_RNA)
where:
Base-Base interactions energy: -179.652
where: short stacking energy: -78.302
Base-Backbone interact. energy: -0.101
local terms energy: -87.364517
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -238.902726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.902726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.902726 (E_RNA)
where:
Base-Base interactions energy: -153.918
where: short stacking energy: -69.284
Base-Backbone interact. energy: -0.124
local terms energy: -84.860198
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -114.324481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.324481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.324481 (E_RNA)
where:
Base-Base interactions energy: -47.736
where: short stacking energy: -31.523
Base-Backbone interact. energy: 0.617
local terms energy: -67.204970
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -8.414
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: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -135.425211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.425211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.425211 (E_RNA)
where:
Base-Base interactions energy: -61.842
where: short stacking energy: -42.069
Base-Backbone interact. energy: -0.004
local terms energy: -73.579380
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -86.444942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.444942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.444942 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -24.965
Base-Backbone interact. energy: 1.169
local terms energy: -53.417363
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: 0.624
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: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -292.194399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.194399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.194399 (E_RNA)
where:
Base-Base interactions energy: -194.639
where: short stacking energy: -89.393
Base-Backbone interact. energy: -1.068
local terms energy: -96.487354
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -27.388
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: 384
Temperature: 0.950000
Total energy: -296.864793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.864793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.864793 (E_RNA)
where:
Base-Base interactions energy: -207.400
where: short stacking energy: -88.577
Base-Backbone interact. energy: 0.877
local terms energy: -90.341743
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -24.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -278.559139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.559139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.559139 (E_RNA)
where:
Base-Base interactions energy: -188.155
where: short stacking energy: -90.411
Base-Backbone interact. energy: -1.471
local terms energy: -88.933171
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -25.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -254.559954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.559954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.559954 (E_RNA)
where:
Base-Base interactions energy: -167.725
where: short stacking energy: -73.999
Base-Backbone interact. energy: -0.080
local terms energy: -86.755054
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -262.146134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.146134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.146134 (E_RNA)
where:
Base-Base interactions energy: -178.057
where: short stacking energy: -68.383
Base-Backbone interact. energy: -1.218
local terms energy: -82.871398
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -17.802
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: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -232.862715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.862715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.862715 (E_RNA)
where:
Base-Base interactions energy: -146.672
where: short stacking energy: -68.718
Base-Backbone interact. energy: -1.411
local terms energy: -84.779918
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -15.346
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: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -252.322888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.322888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.322888 (E_RNA)
where:
Base-Base interactions energy: -166.435
where: short stacking energy: -69.334
Base-Backbone interact. energy: -0.151
local terms energy: -85.737473
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -114.955887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.955887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.955887 (E_RNA)
where:
Base-Base interactions energy: -48.396
where: short stacking energy: -40.510
Base-Backbone interact. energy: -0.090
local terms energy: -66.469930
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -88.923693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.923693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.923693 (E_RNA)
where:
Base-Base interactions energy: -30.105
where: short stacking energy: -27.063
Base-Backbone interact. energy: 2.372
local terms energy: -61.190853
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -0.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -77.255794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.255794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.255794 (E_RNA)
where:
Base-Base interactions energy: -26.563
where: short stacking energy: -19.886
Base-Backbone interact. energy: -0.642
local terms energy: -50.050806
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -289.982145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.982145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.982145 (E_RNA)
where:
Base-Base interactions energy: -193.602
where: short stacking energy: -83.947
Base-Backbone interact. energy: -0.166
local terms energy: -96.214748
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -25.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -292.593650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.593650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.593650 (E_RNA)
where:
Base-Base interactions energy: -197.383
where: short stacking energy: -86.430
Base-Backbone interact. energy: 1.104
local terms energy: -96.314647
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -274.133235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.133235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.133235 (E_RNA)
where:
Base-Base interactions energy: -180.217
where: short stacking energy: -82.329
Base-Backbone interact. energy: -0.018
local terms energy: -93.898772
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -26.468
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: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -270.580048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.580048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.580048 (E_RNA)
where:
Base-Base interactions energy: -182.580
where: short stacking energy: -84.726
Base-Backbone interact. energy: -0.276
local terms energy: -87.724793
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -24.228
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: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -267.668935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.668935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.668935 (E_RNA)
where:
Base-Base interactions energy: -177.282
where: short stacking energy: -86.267
Base-Backbone interact. energy: -2.616
local terms energy: -87.771156
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -29.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -253.005404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.005404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.005404 (E_RNA)
where:
Base-Base interactions energy: -172.954
where: short stacking energy: -71.296
Base-Backbone interact. energy: -0.729
local terms energy: -79.322100
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -228.570414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.570414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.570414 (E_RNA)
where:
Base-Base interactions energy: -144.099
where: short stacking energy: -70.105
Base-Backbone interact. energy: -0.147
local terms energy: -84.323969
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -23.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -96.937552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.937552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.937552 (E_RNA)
where:
Base-Base interactions energy: -34.272
where: short stacking energy: -32.080
Base-Backbone interact. energy: -0.453
local terms energy: -62.212644
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -92.185796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.185796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.185796 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -32.629
Base-Backbone interact. energy: -0.153
local terms energy: -59.404036
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -4.403
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: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -102.853663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.853663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.853663 (E_RNA)
where:
Base-Base interactions energy: -36.065
where: short stacking energy: -33.728
Base-Backbone interact. energy: -0.017
local terms energy: -66.771480
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -292.096493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.096493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.096493 (E_RNA)
where:
Base-Base interactions energy: -195.011
where: short stacking energy: -77.835
Base-Backbone interact. energy: -0.714
local terms energy: -96.371463
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -294.769912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.769912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.769912 (E_RNA)
where:
Base-Base interactions energy: -197.498
where: short stacking energy: -94.199
Base-Backbone interact. energy: -0.187
local terms energy: -97.084707
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -23.198
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -27.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -278.971742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.971742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.971742 (E_RNA)
where:
Base-Base interactions energy: -181.599
where: short stacking energy: -86.739
Base-Backbone interact. energy: -0.487
local terms energy: -96.885830
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -15.644
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: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -275.508970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.508970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.508970 (E_RNA)
where:
Base-Base interactions energy: -184.150
where: short stacking energy: -85.792
Base-Backbone interact. energy: -0.178
local terms energy: -91.181044
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -26.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -270.688543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.688543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.688543 (E_RNA)
where:
Base-Base interactions energy: -183.955
where: short stacking energy: -81.974
Base-Backbone interact. energy: 0.311
local terms energy: -87.044340
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -28.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -237.876493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.876493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.876493 (E_RNA)
where:
Base-Base interactions energy: -163.506
where: short stacking energy: -77.386
Base-Backbone interact. energy: -0.361
local terms energy: -74.008748
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -23.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -242.943293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.943293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.943293 (E_RNA)
where:
Base-Base interactions energy: -156.928
where: short stacking energy: -75.635
Base-Backbone interact. energy: -0.080
local terms energy: -85.935519
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -7.425
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: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -107.909061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.909061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.909061 (E_RNA)
where:
Base-Base interactions energy: -37.020
where: short stacking energy: -37.020
Base-Backbone interact. energy: -0.105
local terms energy: -70.784244
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -97.373020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.373020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.373020 (E_RNA)
where:
Base-Base interactions energy: -33.417
where: short stacking energy: -27.833
Base-Backbone interact. energy: -0.319
local terms energy: -63.636737
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -85.081236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.081236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.081236 (E_RNA)
where:
Base-Base interactions energy: -35.392
where: short stacking energy: -35.392
Base-Backbone interact. energy: -0.432
local terms energy: -49.257377
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -1.251
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: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -292.165427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.165427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.165427 (E_RNA)
where:
Base-Base interactions energy: -196.597
where: short stacking energy: -84.941
Base-Backbone interact. energy: -0.097
local terms energy: -95.471305
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -22.390
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: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -286.486288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.486288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.486288 (E_RNA)
where:
Base-Base interactions energy: -195.675
where: short stacking energy: -81.575
Base-Backbone interact. energy: 0.195
local terms energy: -91.006467
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -15.382
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: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -272.419342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.419342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.419342 (E_RNA)
where:
Base-Base interactions energy: -177.415
where: short stacking energy: -82.445
Base-Backbone interact. energy: -1.137
local terms energy: -93.868004
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -24.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -279.746359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.746359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.746359 (E_RNA)
where:
Base-Base interactions energy: -189.729
where: short stacking energy: -89.799
Base-Backbone interact. energy: -0.006
local terms energy: -90.011222
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -25.389
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: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -285.700407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.700407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.700407 (E_RNA)
where:
Base-Base interactions energy: -192.974
where: short stacking energy: -85.200
Base-Backbone interact. energy: -0.010
local terms energy: -92.715943
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -26.362
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: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -228.793026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.793026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.793026 (E_RNA)
where:
Base-Base interactions energy: -148.760
where: short stacking energy: -69.137
Base-Backbone interact. energy: -0.485
local terms energy: -79.548803
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -231.148009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.148009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.148009 (E_RNA)
where:
Base-Base interactions energy: -153.451
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.107
local terms energy: -77.590008
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -98.229695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.229695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.229695 (E_RNA)
where:
Base-Base interactions energy: -41.542
where: short stacking energy: -41.542
Base-Backbone interact. energy: -0.696
local terms energy: -55.991697
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -4.577
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: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -95.828854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.828854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.828854 (E_RNA)
where:
Base-Base interactions energy: -36.511
where: short stacking energy: -36.511
Base-Backbone interact. energy: -0.162
local terms energy: -59.155730
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -87.778440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.778440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.778440 (E_RNA)
where:
Base-Base interactions energy: -30.377
where: short stacking energy: -23.640
Base-Backbone interact. energy: -0.365
local terms energy: -57.036034
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -294.646037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.646037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.646037 (E_RNA)
where:
Base-Base interactions energy: -201.140
where: short stacking energy: -83.320
Base-Backbone interact. energy: 0.300
local terms energy: -93.805567
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -12.247
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: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -286.327009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.327009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.327009 (E_RNA)
where:
Base-Base interactions energy: -190.215
where: short stacking energy: -85.860
Base-Backbone interact. energy: -0.113
local terms energy: -95.999618
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -21.915
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -26.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -288.627733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.627733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.627733 (E_RNA)
where:
Base-Base interactions energy: -194.556
where: short stacking energy: -83.216
Base-Backbone interact. energy: -0.337
local terms energy: -93.734606
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -25.493
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: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -282.286355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.286355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.286355 (E_RNA)
where:
Base-Base interactions energy: -188.353
where: short stacking energy: -79.145
Base-Backbone interact. energy: -0.159
local terms energy: -93.774199
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -21.354
flat angles P-C4'-P energy: -12.023
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: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -257.858078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.858078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.858078 (E_RNA)
where:
Base-Base interactions energy: -171.313
where: short stacking energy: -75.289
Base-Backbone interact. energy: 1.263
local terms energy: -87.807780
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -24.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -244.476930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.476930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.476930 (E_RNA)
where:
Base-Base interactions energy: -157.142
where: short stacking energy: -70.373
Base-Backbone interact. energy: -0.111
local terms energy: -87.223174
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -20.640
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -21.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -219.860351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.860351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.860351 (E_RNA)
where:
Base-Base interactions energy: -147.199
where: short stacking energy: -62.382
Base-Backbone interact. energy: -1.387
local terms energy: -71.274545
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -5.243
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: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -111.272374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.272374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.272374 (E_RNA)
where:
Base-Base interactions energy: -45.541
where: short stacking energy: -41.614
Base-Backbone interact. energy: 1.908
local terms energy: -67.639460
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -95.568463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.568463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.568463 (E_RNA)
where:
Base-Base interactions energy: -31.346
where: short stacking energy: -25.688
Base-Backbone interact. energy: -0.234
local terms energy: -63.988714
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -89.388225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.388225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.388225 (E_RNA)
where:
Base-Base interactions energy: -29.158
where: short stacking energy: -20.843
Base-Backbone interact. energy: -0.166
local terms energy: -60.063533
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -296.791562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.791562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.791562 (E_RNA)
where:
Base-Base interactions energy: -199.150
where: short stacking energy: -86.408
Base-Backbone interact. energy: -0.090
local terms energy: -97.552419
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -12.456
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: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -282.681049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.681049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.681049 (E_RNA)
where:
Base-Base interactions energy: -191.608
where: short stacking energy: -86.124
Base-Backbone interact. energy: -0.001
local terms energy: -91.072442
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -16.134
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: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -291.198100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.198100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.198100 (E_RNA)
where:
Base-Base interactions energy: -190.562
where: short stacking energy: -85.010
Base-Backbone interact. energy: -0.071
local terms energy: -100.564959
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -27.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -279.521223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.521223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.521223 (E_RNA)
where:
Base-Base interactions energy: -187.456
where: short stacking energy: -88.864
Base-Backbone interact. energy: -0.077
local terms energy: -91.987922
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -13.577
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: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -268.213391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.213391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.213391 (E_RNA)
where:
Base-Base interactions energy: -186.724
where: short stacking energy: -81.664
Base-Backbone interact. energy: -0.124
local terms energy: -81.365719
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -245.330181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.330181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.330181 (E_RNA)
where:
Base-Base interactions energy: -161.688
where: short stacking energy: -61.357
Base-Backbone interact. energy: 1.823
local terms energy: -85.464738
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -241.794919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.794919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.794919 (E_RNA)
where:
Base-Base interactions energy: -162.752
where: short stacking energy: -69.102
Base-Backbone interact. energy: -0.004
local terms energy: -79.039044
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -20.124
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: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -107.675980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.675980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.675980 (E_RNA)
where:
Base-Base interactions energy: -42.904
where: short stacking energy: -34.442
Base-Backbone interact. energy: -0.023
local terms energy: -64.748868
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -101.581944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.581944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.581944 (E_RNA)
where:
Base-Base interactions energy: -33.287
where: short stacking energy: -33.287
Base-Backbone interact. energy: -0.120
local terms energy: -68.174722
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -22.681
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -87.012022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.012022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.012022 (E_RNA)
where:
Base-Base interactions energy: -32.054
where: short stacking energy: -32.054
Base-Backbone interact. energy: -0.062
local terms energy: -54.895231
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -2.778
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -288.353853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.353853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.353853 (E_RNA)
where:
Base-Base interactions energy: -184.833
where: short stacking energy: -90.801
Base-Backbone interact. energy: -1.018
local terms energy: -102.502198
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -26.659
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: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -295.124798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.124798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.124798 (E_RNA)
where:
Base-Base interactions energy: -203.967
where: short stacking energy: -84.581
Base-Backbone interact. energy: -0.299
local terms energy: -90.858574
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -23.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -278.804844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.804844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.804844 (E_RNA)
where:
Base-Base interactions energy: -181.485
where: short stacking energy: -80.794
Base-Backbone interact. energy: 0.657
local terms energy: -97.977564
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -26.106
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: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -275.403990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.403990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.403990 (E_RNA)
where:
Base-Base interactions energy: -186.231
where: short stacking energy: -77.647
Base-Backbone interact. energy: -0.041
local terms energy: -89.131299
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -24.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -233.166976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.166976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.166976 (E_RNA)
where:
Base-Base interactions energy: -150.360
where: short stacking energy: -76.734
Base-Backbone interact. energy: -0.172
local terms energy: -82.634809
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -11.967
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: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -261.354929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.354929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.354929 (E_RNA)
where:
Base-Base interactions energy: -178.015
where: short stacking energy: -79.638
Base-Backbone interact. energy: -0.512
local terms energy: -82.827869
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -246.777681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.777681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.777681 (E_RNA)
where:
Base-Base interactions energy: -170.839
where: short stacking energy: -65.615
Base-Backbone interact. energy: -0.133
local terms energy: -75.805688
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -11.311
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: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -115.036657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.036657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.036657 (E_RNA)
where:
Base-Base interactions energy: -44.215
where: short stacking energy: -44.215
Base-Backbone interact. energy: -0.227
local terms energy: -70.594984
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -105.085299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.085299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.085299 (E_RNA)
where:
Base-Base interactions energy: -38.785
where: short stacking energy: -36.545
Base-Backbone interact. energy: -0.090
local terms energy: -66.209948
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -8.814
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: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -84.923940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.923940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.923940 (E_RNA)
where:
Base-Base interactions energy: -33.278
where: short stacking energy: -31.517
Base-Backbone interact. energy: -0.055
local terms energy: -51.591263
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -291.358457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.358457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.358457 (E_RNA)
where:
Base-Base interactions energy: -192.221
where: short stacking energy: -90.109
Base-Backbone interact. energy: -0.016
local terms energy: -99.121050
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -25.506
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: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -294.336420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.336420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.336420 (E_RNA)
where:
Base-Base interactions energy: -203.668
where: short stacking energy: -88.212
Base-Backbone interact. energy: -0.254
local terms energy: -90.414464
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -26.405
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: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -282.840043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.840043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.840043 (E_RNA)
where:
Base-Base interactions energy: -195.386
where: short stacking energy: -83.357
Base-Backbone interact. energy: -0.858
local terms energy: -86.596102
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -24.654
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: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -258.363780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.363780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.363780 (E_RNA)
where:
Base-Base interactions energy: -172.186
where: short stacking energy: -74.888
Base-Backbone interact. energy: -0.023
local terms energy: -86.155315
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -20.442
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -16.929
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: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -261.972230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.972230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.972230 (E_RNA)
where:
Base-Base interactions energy: -173.665
where: short stacking energy: -80.247
Base-Backbone interact. energy: -0.436
local terms energy: -87.870860
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -21.752
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: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -231.911755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.911755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.911755 (E_RNA)
where:
Base-Base interactions energy: -161.153
where: short stacking energy: -71.720
Base-Backbone interact. energy: -0.053
local terms energy: -70.705963
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -13.703
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: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -227.525525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.525525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.525525 (E_RNA)
where:
Base-Base interactions energy: -147.518
where: short stacking energy: -67.452
Base-Backbone interact. energy: -0.599
local terms energy: -79.408757
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -10.994
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: 8, replica: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -106.405413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.405413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.405413 (E_RNA)
where:
Base-Base interactions energy: -51.897
where: short stacking energy: -50.348
Base-Backbone interact. energy: -0.094
local terms energy: -54.415126
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -7.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -88.879057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.879057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.879057 (E_RNA)
where:
Base-Base interactions energy: -32.322
where: short stacking energy: -21.808
Base-Backbone interact. energy: -0.237
local terms energy: -56.319917
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: 0.298
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: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -96.369763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.369763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.369763 (E_RNA)
where:
Base-Base interactions energy: -30.484
where: short stacking energy: -30.484
Base-Backbone interact. energy: -0.006
local terms energy: -65.879838
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -285.688907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.688907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.688907 (E_RNA)
where:
Base-Base interactions energy: -185.632
where: short stacking energy: -85.929
Base-Backbone interact. energy: -0.399
local terms energy: -99.657422
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -27.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -283.912801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.912801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.912801 (E_RNA)
where:
Base-Base interactions energy: -187.630
where: short stacking energy: -82.520
Base-Backbone interact. energy: -1.078
local terms energy: -95.205046
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -17.122
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: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -265.351578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.351578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.351578 (E_RNA)
where:
Base-Base interactions energy: -183.040
where: short stacking energy: -76.645
Base-Backbone interact. energy: 0.854
local terms energy: -83.165821
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -13.794
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: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -248.106611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.106611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.106611 (E_RNA)
where:
Base-Base interactions energy: -161.479
where: short stacking energy: -81.742
Base-Backbone interact. energy: 0.299
local terms energy: -86.926091
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -12.350
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: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -246.283800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.283800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.283800 (E_RNA)
where:
Base-Base interactions energy: -163.253
where: short stacking energy: -70.945
Base-Backbone interact. energy: 0.392
local terms energy: -83.422427
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -8.938
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: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -261.578583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.578583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.578583 (E_RNA)
where:
Base-Base interactions energy: -180.939
where: short stacking energy: -75.483
Base-Backbone interact. energy: -0.489
local terms energy: -80.150240
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -22.281
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: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -247.287120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.287120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.287120 (E_RNA)
where:
Base-Base interactions energy: -162.904
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.008
local terms energy: -84.374967
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -106.399692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.399692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.399692 (E_RNA)
where:
Base-Base interactions energy: -47.508
where: short stacking energy: -35.730
Base-Backbone interact. energy: 0.109
local terms energy: -59.001154
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -6.938
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: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -89.393412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.393412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.393412 (E_RNA)
where:
Base-Base interactions energy: -28.297
where: short stacking energy: -28.297
Base-Backbone interact. energy: -0.245
local terms energy: -60.851998
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -93.622595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.622595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.622595 (E_RNA)
where:
Base-Base interactions energy: -30.152
where: short stacking energy: -29.032
Base-Backbone interact. energy: -0.167
local terms energy: -63.304441
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -2.527
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: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -292.840138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.840138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.840138 (E_RNA)
where:
Base-Base interactions energy: -205.134
where: short stacking energy: -86.029
Base-Backbone interact. energy: -0.134
local terms energy: -87.572525
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -24.929
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: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -291.097413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.097413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.097413 (E_RNA)
where:
Base-Base interactions energy: -192.410
where: short stacking energy: -76.919
Base-Backbone interact. energy: -0.067
local terms energy: -98.621311
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -262.279732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.279732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.279732 (E_RNA)
where:
Base-Base interactions energy: -173.867
where: short stacking energy: -81.272
Base-Backbone interact. energy: -0.034
local terms energy: -88.378857
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -15.592
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: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -273.496392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.496392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.496392 (E_RNA)
where:
Base-Base interactions energy: -191.040
where: short stacking energy: -75.507
Base-Backbone interact. energy: -0.450
local terms energy: -82.006410
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -10.610
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: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -257.194738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.194738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.194738 (E_RNA)
where:
Base-Base interactions energy: -177.639
where: short stacking energy: -66.480
Base-Backbone interact. energy: -0.272
local terms energy: -79.283199
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -15.277
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: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -246.092165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.092165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.092165 (E_RNA)
where:
Base-Base interactions energy: -161.762
where: short stacking energy: -72.126
Base-Backbone interact. energy: -0.148
local terms energy: -84.182323
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -19.965
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: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -223.387972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.387972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.387972 (E_RNA)
where:
Base-Base interactions energy: -142.288
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.230
local terms energy: -80.870499
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -16.604
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: 8, replica: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -99.480046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.480046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.480046 (E_RNA)
where:
Base-Base interactions energy: -40.688
where: short stacking energy: -25.623
Base-Backbone interact. energy: -0.404
local terms energy: -58.388789
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -91.880500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.880500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.880500 (E_RNA)
where:
Base-Base interactions energy: -36.129
where: short stacking energy: -29.230
Base-Backbone interact. energy: -0.600
local terms energy: -55.150780
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: 1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -83.832962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.832962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.832962 (E_RNA)
where:
Base-Base interactions energy: -35.359
where: short stacking energy: -23.117
Base-Backbone interact. energy: 0.089
local terms energy: -48.563746
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: 5.380
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: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -295.442333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.442333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.442333 (E_RNA)
where:
Base-Base interactions energy: -205.807
where: short stacking energy: -85.234
Base-Backbone interact. energy: -0.003
local terms energy: -89.632438
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -12.941
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: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -288.960047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.960047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.960047 (E_RNA)
where:
Base-Base interactions energy: -197.742
where: short stacking energy: -78.978
Base-Backbone interact. energy: -0.494
local terms energy: -90.723744
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -278.426562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.426562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.426562 (E_RNA)
where:
Base-Base interactions energy: -191.285
where: short stacking energy: -81.637
Base-Backbone interact. energy: -0.280
local terms energy: -86.861356
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -23.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -271.151385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.151385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.151385 (E_RNA)
where:
Base-Base interactions energy: -186.496
where: short stacking energy: -70.291
Base-Backbone interact. energy: -0.426
local terms energy: -84.229634
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -8.288
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: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -246.463195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.463195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.463195 (E_RNA)
where:
Base-Base interactions energy: -167.144
where: short stacking energy: -75.573
Base-Backbone interact. energy: 0.099
local terms energy: -79.417592
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -6.491
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: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -248.562287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.562287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.562287 (E_RNA)
where:
Base-Base interactions energy: -167.078
where: short stacking energy: -74.476
Base-Backbone interact. energy: -0.052
local terms energy: -81.432055
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -220.144784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.144784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.144784 (E_RNA)
where:
Base-Base interactions energy: -143.228
where: short stacking energy: -62.351
Base-Backbone interact. energy: 0.227
local terms energy: -77.143030
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -99.788718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.788718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.788718 (E_RNA)
where:
Base-Base interactions energy: -32.483
where: short stacking energy: -28.519
Base-Backbone interact. energy: 1.194
local terms energy: -68.499669
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -96.671103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.671103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.671103 (E_RNA)
where:
Base-Base interactions energy: -40.199
where: short stacking energy: -30.690
Base-Backbone interact. energy: -0.246
local terms energy: -56.225373
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -84.036192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.036192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.036192 (E_RNA)
where:
Base-Base interactions energy: -26.022
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.131
local terms energy: -57.883122
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -305.244064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.244064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.244064 (E_RNA)
where:
Base-Base interactions energy: -208.313
where: short stacking energy: -92.719
Base-Backbone interact. energy: -0.089
local terms energy: -96.842042
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -26.441
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: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -277.115548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.115548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.115548 (E_RNA)
where:
Base-Base interactions energy: -189.157
where: short stacking energy: -83.762
Base-Backbone interact. energy: 0.087
local terms energy: -88.045594
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -25.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -283.346987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.346987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.346987 (E_RNA)
where:
Base-Base interactions energy: -189.704
where: short stacking energy: -80.693
Base-Backbone interact. energy: -0.028
local terms energy: -93.615177
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -12.574
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: 4, replica: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -259.801943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.801943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.801943 (E_RNA)
where:
Base-Base interactions energy: -176.023
where: short stacking energy: -76.075
Base-Backbone interact. energy: 0.986
local terms energy: -84.765103
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -273.742774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.742774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.742774 (E_RNA)
where:
Base-Base interactions energy: -184.492
where: short stacking energy: -81.923
Base-Backbone interact. energy: -0.096
local terms energy: -89.155347
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -12.010
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: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -230.574382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.574382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.574382 (E_RNA)
where:
Base-Base interactions energy: -144.273
where: short stacking energy: -60.701
Base-Backbone interact. energy: -0.502
local terms energy: -85.799262
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -248.152916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.152916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.152916 (E_RNA)
where:
Base-Base interactions energy: -172.085
where: short stacking energy: -74.473
Base-Backbone interact. energy: 0.390
local terms energy: -76.458505
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -20.934
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: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -104.735686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.735686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.735686 (E_RNA)
where:
Base-Base interactions energy: -42.559
where: short stacking energy: -36.891
Base-Backbone interact. energy: 1.887
local terms energy: -64.064364
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -6.931
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: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -89.387274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.387274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.387274 (E_RNA)
where:
Base-Base interactions energy: -43.199
where: short stacking energy: -18.703
Base-Backbone interact. energy: -0.620
local terms energy: -45.567967
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -95.632728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.632728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.632728 (E_RNA)
where:
Base-Base interactions energy: -32.385
where: short stacking energy: -32.385
Base-Backbone interact. energy: -0.082
local terms energy: -63.165432
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -4.278
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: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -280.727151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.727151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.727151 (E_RNA)
where:
Base-Base interactions energy: -187.417
where: short stacking energy: -84.348
Base-Backbone interact. energy: -0.093
local terms energy: -93.217403
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -299.437558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.437558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.437558 (E_RNA)
where:
Base-Base interactions energy: -202.926
where: short stacking energy: -90.269
Base-Backbone interact. energy: -0.069
local terms energy: -96.442753
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -26.306
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: 396
Temperature: 1.000000
Total energy: -291.589078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.589078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.589078 (E_RNA)
where:
Base-Base interactions energy: -188.819
where: short stacking energy: -80.048
Base-Backbone interact. energy: -0.085
local terms energy: -102.684395
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -16.883
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: 4, replica: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -273.015919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.015919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.015919 (E_RNA)
where:
Base-Base interactions energy: -178.532
where: short stacking energy: -89.064
Base-Backbone interact. energy: -0.730
local terms energy: -93.753343
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -21.417
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -26.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -250.647982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.647982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.647982 (E_RNA)
where:
Base-Base interactions energy: -176.257
where: short stacking energy: -74.310
Base-Backbone interact. energy: -0.006
local terms energy: -74.385591
where:
bonds (distance) C4'-P energy: -7.753
bonds (distance) P-C4' energy: -8.951
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -21.978
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: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -252.137147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.137147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.137147 (E_RNA)
where:
Base-Base interactions energy: -166.556
where: short stacking energy: -71.217
Base-Backbone interact. energy: -0.280
local terms energy: -85.301461
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -232.127941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.127941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.127941 (E_RNA)
where:
Base-Base interactions energy: -151.622
where: short stacking energy: -58.615
Base-Backbone interact. energy: -0.083
local terms energy: -80.422738
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -10.045
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: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -100.754487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.754487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.754487 (E_RNA)
where:
Base-Base interactions energy: -36.216
where: short stacking energy: -29.711
Base-Backbone interact. energy: 0.373
local terms energy: -64.911297
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -94.377636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.377636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.377636 (E_RNA)
where:
Base-Base interactions energy: -38.214
where: short stacking energy: -34.555
Base-Backbone interact. energy: -0.295
local terms energy: -55.868373
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -89.044021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.044021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.044021 (E_RNA)
where:
Base-Base interactions energy: -31.343
where: short stacking energy: -31.343
Base-Backbone interact. energy: -0.209
local terms energy: -57.492864
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -1.863
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: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -288.497875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.497875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.497875 (E_RNA)
where:
Base-Base interactions energy: -187.105
where: short stacking energy: -76.549
Base-Backbone interact. energy: -0.014
local terms energy: -101.379137
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -27.584
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: 397
Temperature: 0.950000
Total energy: -284.574744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.574744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.574744 (E_RNA)
where:
Base-Base interactions energy: -190.278
where: short stacking energy: -84.473
Base-Backbone interact. energy: -0.038
local terms energy: -94.258306
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -294.875682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.875682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.875682 (E_RNA)
where:
Base-Base interactions energy: -201.975
where: short stacking energy: -86.724
Base-Backbone interact. energy: -0.037
local terms energy: -92.863569
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -27.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -275.517162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.517162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.517162 (E_RNA)
where:
Base-Base interactions energy: -190.893
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.114
local terms energy: -84.510100
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -20.116
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: 397
Temperature: 1.100000
Total energy: -245.657190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.657190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.657190 (E_RNA)
where:
Base-Base interactions energy: -157.840
where: short stacking energy: -67.269
Base-Backbone interact. energy: -0.853
local terms energy: -86.964141
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -235.614453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.614453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.614453 (E_RNA)
where:
Base-Base interactions energy: -157.258
where: short stacking energy: -76.048
Base-Backbone interact. energy: 0.252
local terms energy: -78.608017
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -247.889967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.889967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.889967 (E_RNA)
where:
Base-Base interactions energy: -171.860
where: short stacking energy: -69.716
Base-Backbone interact. energy: 5.536
local terms energy: -81.565356
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -21.766
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: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -100.866577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.866577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.866577 (E_RNA)
where:
Base-Base interactions energy: -35.278
where: short stacking energy: -26.714
Base-Backbone interact. energy: 1.639
local terms energy: -67.227821
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -89.927122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.927122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.927122 (E_RNA)
where:
Base-Base interactions energy: -38.705
where: short stacking energy: -19.080
Base-Backbone interact. energy: -0.553
local terms energy: -50.669593
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -87.382738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.382738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.382738 (E_RNA)
where:
Base-Base interactions energy: -33.611
where: short stacking energy: -22.794
Base-Backbone interact. energy: -0.198
local terms energy: -53.573843
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.140
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: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -295.375201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.375201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.375201 (E_RNA)
where:
Base-Base interactions energy: -201.698
where: short stacking energy: -82.690
Base-Backbone interact. energy: -0.007
local terms energy: -93.669838
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -12.752
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: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -289.281443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.281443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.281443 (E_RNA)
where:
Base-Base interactions energy: -195.298
where: short stacking energy: -84.569
Base-Backbone interact. energy: -0.392
local terms energy: -93.592000
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -25.130
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: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -278.918054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.918054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.918054 (E_RNA)
where:
Base-Base interactions energy: -194.716
where: short stacking energy: -80.987
Base-Backbone interact. energy: -0.101
local terms energy: -84.100314
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -296.895854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.895854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.895854 (E_RNA)
where:
Base-Base interactions energy: -198.560
where: short stacking energy: -83.354
Base-Backbone interact. energy: -0.109
local terms energy: -98.226653
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -25.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -258.528515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.528515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.528515 (E_RNA)
where:
Base-Base interactions energy: -175.680
where: short stacking energy: -81.693
Base-Backbone interact. energy: -0.067
local terms energy: -82.781925
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -22.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -254.810386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.810386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.810386 (E_RNA)
where:
Base-Base interactions energy: -182.838
where: short stacking energy: -81.486
Base-Backbone interact. energy: -0.086
local terms energy: -71.886171
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -19.431
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: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -252.912699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.912699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.912699 (E_RNA)
where:
Base-Base interactions energy: -161.880
where: short stacking energy: -74.998
Base-Backbone interact. energy: -0.521
local terms energy: -90.512337
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -99.831269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.831269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.831269 (E_RNA)
where:
Base-Base interactions energy: -32.990
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.459
local terms energy: -66.381854
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -94.988043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.988043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.988043 (E_RNA)
where:
Base-Base interactions energy: -34.618
where: short stacking energy: -31.991
Base-Backbone interact. energy: -0.130
local terms energy: -60.239782
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -93.683635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.683635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.683635 (E_RNA)
where:
Base-Base interactions energy: -44.522
where: short stacking energy: -27.603
Base-Backbone interact. energy: -0.021
local terms energy: -49.139992
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -292.485046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.485046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.485046 (E_RNA)
where:
Base-Base interactions energy: -198.820
where: short stacking energy: -88.388
Base-Backbone interact. energy: -0.716
local terms energy: -92.949075
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -23.546
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: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -292.530365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.530365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.530365 (E_RNA)
where:
Base-Base interactions energy: -190.945
where: short stacking energy: -89.749
Base-Backbone interact. energy: -0.079
local terms energy: -101.506236
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -26.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -282.867265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.867265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.867265 (E_RNA)
where:
Base-Base interactions energy: -178.234
where: short stacking energy: -85.701
Base-Backbone interact. energy: -2.782
local terms energy: -101.850977
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -27.642
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: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -277.998928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.998928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.998928 (E_RNA)
where:
Base-Base interactions energy: -181.558
where: short stacking energy: -73.752
Base-Backbone interact. energy: -0.141
local terms energy: -96.299781
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -11.083
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: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -263.376174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.376174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.376174 (E_RNA)
where:
Base-Base interactions energy: -172.221
where: short stacking energy: -75.816
Base-Backbone interact. energy: -0.121
local terms energy: -91.034184
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -24.696
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: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -240.152060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.152060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.152060 (E_RNA)
where:
Base-Base interactions energy: -159.519
where: short stacking energy: -73.845
Base-Backbone interact. energy: -1.121
local terms energy: -79.511423
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -245.346609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.346609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.346609 (E_RNA)
where:
Base-Base interactions energy: -163.530
where: short stacking energy: -70.095
Base-Backbone interact. energy: -0.009
local terms energy: -81.807270
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -22.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -100.808534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.808534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.808534 (E_RNA)
where:
Base-Base interactions energy: -30.811
where: short stacking energy: -17.607
Base-Backbone interact. energy: -0.254
local terms energy: -69.743838
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -88.752608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.752608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.752608 (E_RNA)
where:
Base-Base interactions energy: -26.641
where: short stacking energy: -25.174
Base-Backbone interact. energy: -0.157
local terms energy: -61.954198
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -83.816679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.816679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.816679 (E_RNA)
where:
Base-Base interactions energy: -28.322
where: short stacking energy: -27.137
Base-Backbone interact. energy: 0.594
local terms energy: -56.088169
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -6.949
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -295.159746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.159746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.159746 (E_RNA)
where:
Base-Base interactions energy: -204.098
where: short stacking energy: -87.193
Base-Backbone interact. energy: -0.050
local terms energy: -91.011782
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -27.824
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: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -292.848613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.848613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.848613 (E_RNA)
where:
Base-Base interactions energy: -210.564
where: short stacking energy: -82.781
Base-Backbone interact. energy: 0.600
local terms energy: -82.884936
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -10.703
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: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -279.664872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.664872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.664872 (E_RNA)
where:
Base-Base interactions energy: -188.333
where: short stacking energy: -81.063
Base-Backbone interact. energy: -0.313
local terms energy: -91.018041
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -288.561170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.561170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.561170 (E_RNA)
where:
Base-Base interactions energy: -208.628
where: short stacking energy: -86.874
Base-Backbone interact. energy: -0.081
local terms energy: -79.852156
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -20.944
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: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -263.148679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.148679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.148679 (E_RNA)
where:
Base-Base interactions energy: -178.336
where: short stacking energy: -76.685
Base-Backbone interact. energy: -0.038
local terms energy: -84.775057
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -240.330279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.330279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.330279 (E_RNA)
where:
Base-Base interactions energy: -158.414
where: short stacking energy: -73.623
Base-Backbone interact. energy: -0.005
local terms energy: -81.910905
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -20.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -241.968640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.968640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.968640 (E_RNA)
where:
Base-Base interactions energy: -172.161
where: short stacking energy: -70.846
Base-Backbone interact. energy: -0.053
local terms energy: -69.754060
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -18.953
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: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -98.392641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.392641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.392641 (E_RNA)
where:
Base-Base interactions energy: -37.614
where: short stacking energy: -32.712
Base-Backbone interact. energy: -0.924
local terms energy: -59.855518
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -95.443352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.443352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.443352 (E_RNA)
where:
Base-Base interactions energy: -30.215
where: short stacking energy: -29.829
Base-Backbone interact. energy: -0.306
local terms energy: -64.921949
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -5.893
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: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -93.903345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.903345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.903345 (E_RNA)
where:
Base-Base interactions energy: -37.288
where: short stacking energy: -37.288
Base-Backbone interact. energy: -0.114
local terms energy: -56.501001
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -8.911
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: 1, replica: 6
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -295.714637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.714637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.714637 (E_RNA)
where:
Base-Base interactions energy: -201.386
where: short stacking energy: -83.476
Base-Backbone interact. energy: 0.038
local terms energy: -94.367366
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -27.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -288.642606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.642606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.642606 (E_RNA)
where:
Base-Base interactions energy: -187.400
where: short stacking energy: -85.299
Base-Backbone interact. energy: -0.076
local terms energy: -101.166756
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -14.365
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: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -288.296897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.296897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.296897 (E_RNA)
where:
Base-Base interactions energy: -195.497
where: short stacking energy: -80.980
Base-Backbone interact. energy: -0.013
local terms energy: -92.786974
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -28.655
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: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -273.562118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.562118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.562118 (E_RNA)
where:
Base-Base interactions energy: -191.372
where: short stacking energy: -83.122
Base-Backbone interact. energy: -0.051
local terms energy: -82.138927
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -10.657
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: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -273.551824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.551824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.551824 (E_RNA)
where:
Base-Base interactions energy: -188.462
where: short stacking energy: -85.112
Base-Backbone interact. energy: -0.043
local terms energy: -85.046301
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -9.525
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: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -245.926213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.926213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.926213 (E_RNA)
where:
Base-Base interactions energy: -162.501
where: short stacking energy: -72.646
Base-Backbone interact. energy: -0.661
local terms energy: -82.764679
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -20.646
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: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -246.170344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.170344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.170344 (E_RNA)
where:
Base-Base interactions energy: -167.394
where: short stacking energy: -66.240
Base-Backbone interact. energy: 1.251
local terms energy: -80.027065
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -98.684431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.684431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.684431 (E_RNA)
where:
Base-Base interactions energy: -34.007
where: short stacking energy: -33.751
Base-Backbone interact. energy: -0.720
local terms energy: -63.957248
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -5.164
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: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -94.951402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.951402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.951402 (E_RNA)
where:
Base-Base interactions energy: -31.893
where: short stacking energy: -21.846
Base-Backbone interact. energy: 0.342
local terms energy: -63.400657
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -94.070374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.070374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.070374 (E_RNA)
where:
Base-Base interactions energy: -35.489
where: short stacking energy: -35.489
Base-Backbone interact. energy: -0.155
local terms energy: -58.426425
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: 1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -290.838755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.838755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.838755 (E_RNA)
where:
Base-Base interactions energy: -197.446
where: short stacking energy: -89.153
Base-Backbone interact. energy: -0.251
local terms energy: -93.141093
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -24.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -284.887794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.887794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.887794 (E_RNA)
where:
Base-Base interactions energy: -194.828
where: short stacking energy: -89.087
Base-Backbone interact. energy: -0.099
local terms energy: -89.961090
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -30.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -295.002779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.002779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.002779 (E_RNA)
where:
Base-Base interactions energy: -210.662
where: short stacking energy: -88.178
Base-Backbone interact. energy: -0.100
local terms energy: -84.241053
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -15.375
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: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -276.710704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.710704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.710704 (E_RNA)
where:
Base-Base interactions energy: -191.776
where: short stacking energy: -84.960
Base-Backbone interact. energy: -0.002
local terms energy: -84.932491
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -25.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -268.477667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.477667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.477667 (E_RNA)
where:
Base-Base interactions energy: -186.799
where: short stacking energy: -75.755
Base-Backbone interact. energy: -0.121
local terms energy: -81.558368
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -271.290557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.290557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.290557 (E_RNA)
where:
Base-Base interactions energy: -182.502
where: short stacking energy: -76.173
Base-Backbone interact. energy: 0.347
local terms energy: -89.135006
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -22.031
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: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -225.244306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.244306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.244306 (E_RNA)
where:
Base-Base interactions energy: -138.331
where: short stacking energy: -66.464
Base-Backbone interact. energy: -1.124
local terms energy: -85.788369
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -19.057
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -108.895763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.895763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.895763 (E_RNA)
where:
Base-Base interactions energy: -47.785
where: short stacking energy: -47.785
Base-Backbone interact. energy: -0.725
local terms energy: -60.385367
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -11.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -93.634962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.634962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.634962 (E_RNA)
where:
Base-Base interactions energy: -27.425
where: short stacking energy: -27.153
Base-Backbone interact. energy: -0.413
local terms energy: -65.796698
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -13.051
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: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -86.586308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.586308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.586308 (E_RNA)
where:
Base-Base interactions energy: -37.630
where: short stacking energy: -26.273
Base-Backbone interact. energy: -0.274
local terms energy: -48.682308
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -6.954
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -305.196201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.196201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.196201 (E_RNA)
where:
Base-Base interactions energy: -207.136
where: short stacking energy: -87.361
Base-Backbone interact. energy: -0.035
local terms energy: -98.025300
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -23.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -297.011010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.011010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.011010 (E_RNA)
where:
Base-Base interactions energy: -208.329
where: short stacking energy: -82.029
Base-Backbone interact. energy: -0.402
local terms energy: -88.279660
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -13.266
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: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -286.869671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.869671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.869671 (E_RNA)
where:
Base-Base interactions energy: -192.246
where: short stacking energy: -86.986
Base-Backbone interact. energy: -0.039
local terms energy: -94.584776
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -25.943
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: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -280.420772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.420772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.420772 (E_RNA)
where:
Base-Base interactions energy: -184.609
where: short stacking energy: -81.241
Base-Backbone interact. energy: -0.067
local terms energy: -95.745286
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -26.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -276.835862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.835862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.835862 (E_RNA)
where:
Base-Base interactions energy: -191.706
where: short stacking energy: -74.178
Base-Backbone interact. energy: -0.502
local terms energy: -84.628314
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -23.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -245.423784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.423784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.423784 (E_RNA)
where:
Base-Base interactions energy: -157.317
where: short stacking energy: -68.543
Base-Backbone interact. energy: -0.726
local terms energy: -87.381332
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -238.580509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.580509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.580509 (E_RNA)
where:
Base-Base interactions energy: -158.923
where: short stacking energy: -63.119
Base-Backbone interact. energy: -0.240
local terms energy: -79.417411
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -109.365101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.365101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.365101 (E_RNA)
where:
Base-Base interactions energy: -44.831
where: short stacking energy: -36.606
Base-Backbone interact. energy: -0.004
local terms energy: -64.529823
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -87.329826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.329826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.329826 (E_RNA)
where:
Base-Base interactions energy: -27.706
where: short stacking energy: -22.507
Base-Backbone interact. energy: 1.013
local terms energy: -60.637284
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -93.825324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.825324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.825324 (E_RNA)
where:
Base-Base interactions energy: -44.163
where: short stacking energy: -32.734
Base-Backbone interact. energy: 2.149
local terms energy: -51.811673
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: 0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -299.192332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.192332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.192332 (E_RNA)
where:
Base-Base interactions energy: -206.475
where: short stacking energy: -85.610
Base-Backbone interact. energy: -0.547
local terms energy: -92.169600
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -22.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -292.882647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.882647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.882647 (E_RNA)
where:
Base-Base interactions energy: -195.528
where: short stacking energy: -80.034
Base-Backbone interact. energy: -0.094
local terms energy: -97.260941
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -25.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -294.123375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.123375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.123375 (E_RNA)
where:
Base-Base interactions energy: -198.137
where: short stacking energy: -80.349
Base-Backbone interact. energy: -0.263
local terms energy: -95.723673
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -15.587
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: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -266.175108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.175108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.175108 (E_RNA)
where:
Base-Base interactions energy: -185.238
where: short stacking energy: -85.413
Base-Backbone interact. energy: -0.509
local terms energy: -80.428372
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -23.128
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: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -269.297949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.297949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.297949 (E_RNA)
where:
Base-Base interactions energy: -187.513
where: short stacking energy: -76.416
Base-Backbone interact. energy: -0.045
local terms energy: -81.740356
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -246.607891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.607891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.607891 (E_RNA)
where:
Base-Base interactions energy: -154.068
where: short stacking energy: -67.930
Base-Backbone interact. energy: -0.313
local terms energy: -92.226951
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -11.470
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: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -230.377959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.377959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.377959 (E_RNA)
where:
Base-Base interactions energy: -152.396
where: short stacking energy: -65.899
Base-Backbone interact. energy: -0.276
local terms energy: -77.705538
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -19.957
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: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -102.957250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.957250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.957250 (E_RNA)
where:
Base-Base interactions energy: -37.950
where: short stacking energy: -26.717
Base-Backbone interact. energy: -0.071
local terms energy: -64.936774
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -100.189009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.189009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.189009 (E_RNA)
where:
Base-Base interactions energy: -40.127
where: short stacking energy: -38.464
Base-Backbone interact. energy: -0.140
local terms energy: -59.922543
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -9.213
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: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -100.135652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.135652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.135652 (E_RNA)
where:
Base-Base interactions energy: -39.491
where: short stacking energy: -25.009
Base-Backbone interact. energy: 0.454
local terms energy: -61.099331
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -2.194
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: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -291.482193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.482193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.482193 (E_RNA)
where:
Base-Base interactions energy: -201.608
where: short stacking energy: -84.672
Base-Backbone interact. energy: 0.023
local terms energy: -89.897260
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -296.240353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.240353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.240353 (E_RNA)
where:
Base-Base interactions energy: -212.140
where: short stacking energy: -77.691
Base-Backbone interact. energy: 1.141
local terms energy: -85.241382
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -12.911
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: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -279.354212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.354212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.354212 (E_RNA)
where:
Base-Base interactions energy: -184.775
where: short stacking energy: -81.442
Base-Backbone interact. energy: 0.899
local terms energy: -95.477458
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -264.910501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.910501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.910501 (E_RNA)
where:
Base-Base interactions energy: -185.026
where: short stacking energy: -78.987
Base-Backbone interact. energy: 1.971
local terms energy: -81.855273
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -23.749
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: 405
Temperature: 1.100000
Total energy: -254.829483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.829483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.829483 (E_RNA)
where:
Base-Base interactions energy: -172.662
where: short stacking energy: -75.927
Base-Backbone interact. energy: 0.649
local terms energy: -82.816726
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -274.143900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.143900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.143900 (E_RNA)
where:
Base-Base interactions energy: -188.331
where: short stacking energy: -81.181
Base-Backbone interact. energy: -0.005
local terms energy: -85.807661
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -245.524316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.524316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.524316 (E_RNA)
where:
Base-Base interactions energy: -160.555
where: short stacking energy: -66.112
Base-Backbone interact. energy: -0.015
local terms energy: -84.954895
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -22.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -94.863637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.863637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.863637 (E_RNA)
where:
Base-Base interactions energy: -31.329
where: short stacking energy: -31.234
Base-Backbone interact. energy: -0.234
local terms energy: -63.300047
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -94.802180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.802180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.802180 (E_RNA)
where:
Base-Base interactions energy: -37.871
where: short stacking energy: -36.380
Base-Backbone interact. energy: -0.331
local terms energy: -56.600409
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -91.304245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.304245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.304245 (E_RNA)
where:
Base-Base interactions energy: -37.940
where: short stacking energy: -23.003
Base-Backbone interact. energy: -0.299
local terms energy: -53.064952
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: 5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -288.083472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.083472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.083472 (E_RNA)
where:
Base-Base interactions energy: -198.561
where: short stacking energy: -79.181
Base-Backbone interact. energy: -0.149
local terms energy: -89.373786
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -14.491
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: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -291.805211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.805211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.805211 (E_RNA)
where:
Base-Base interactions energy: -202.889
where: short stacking energy: -78.928
Base-Backbone interact. energy: -0.030
local terms energy: -88.886277
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -15.200
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: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -289.119268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.119268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.119268 (E_RNA)
where:
Base-Base interactions energy: -197.161
where: short stacking energy: -80.485
Base-Backbone interact. energy: -0.200
local terms energy: -91.758366
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -22.981
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: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -271.053622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.053622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.053622 (E_RNA)
where:
Base-Base interactions energy: -178.764
where: short stacking energy: -88.760
Base-Backbone interact. energy: -0.007
local terms energy: -92.282834
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -29.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -272.123383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.123383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.123383 (E_RNA)
where:
Base-Base interactions energy: -180.719
where: short stacking energy: -84.057
Base-Backbone interact. energy: 2.442
local terms energy: -93.846219
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -19.674
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -24.041
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: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -246.075560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.075560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.075560 (E_RNA)
where:
Base-Base interactions energy: -166.566
where: short stacking energy: -68.486
Base-Backbone interact. energy: -0.336
local terms energy: -79.173425
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -237.181608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.181608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.181608 (E_RNA)
where:
Base-Base interactions energy: -152.474
where: short stacking energy: -71.804
Base-Backbone interact. energy: -0.039
local terms energy: -84.668201
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -104.877302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.877302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.877302 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -36.246
Base-Backbone interact. energy: -0.106
local terms energy: -68.524791
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -95.065872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.065872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.065872 (E_RNA)
where:
Base-Base interactions energy: -47.758
where: short stacking energy: -30.667
Base-Backbone interact. energy: -0.264
local terms energy: -47.043626
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: 1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -94.769370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.769370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.769370 (E_RNA)
where:
Base-Base interactions energy: -44.871
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.125
local terms energy: -49.773670
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -2.529
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: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -301.751686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.751686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.751686 (E_RNA)
where:
Base-Base interactions energy: -210.117
where: short stacking energy: -89.109
Base-Backbone interact. energy: -0.058
local terms energy: -91.576658
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -14.014
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: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -290.254872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.254872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.254872 (E_RNA)
where:
Base-Base interactions energy: -194.398
where: short stacking energy: -84.281
Base-Backbone interact. energy: -0.675
local terms energy: -95.181570
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -25.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -280.220525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.220525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.220525 (E_RNA)
where:
Base-Base interactions energy: -192.388
where: short stacking energy: -79.950
Base-Backbone interact. energy: -0.006
local terms energy: -87.826127
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -25.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -279.493778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.493778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.493778 (E_RNA)
where:
Base-Base interactions energy: -193.092
where: short stacking energy: -79.087
Base-Backbone interact. energy: -0.030
local terms energy: -86.372022
where:
bonds (distance) C4'-P energy: -6.319
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -264.155963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.155963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.155963 (E_RNA)
where:
Base-Base interactions energy: -174.989
where: short stacking energy: -76.328
Base-Backbone interact. energy: -0.140
local terms energy: -89.027474
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -253.441967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.441967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.441967 (E_RNA)
where:
Base-Base interactions energy: -167.586
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.048
local terms energy: -85.807942
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -249.280459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.280459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.280459 (E_RNA)
where:
Base-Base interactions energy: -166.085
where: short stacking energy: -59.558
Base-Backbone interact. energy: -0.100
local terms energy: -83.095603
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -13.420
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: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -90.572895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.572895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.572895 (E_RNA)
where:
Base-Base interactions energy: -33.824
where: short stacking energy: -31.077
Base-Backbone interact. energy: -0.330
local terms energy: -56.419188
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -6.767
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: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -101.265131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.265131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.265131 (E_RNA)
where:
Base-Base interactions energy: -35.591
where: short stacking energy: -34.752
Base-Backbone interact. energy: 0.211
local terms energy: -65.885117
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -85.743705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.743705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.743705 (E_RNA)
where:
Base-Base interactions energy: -26.333
where: short stacking energy: -19.626
Base-Backbone interact. energy: -0.411
local terms energy: -59.000370
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: 2.368
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: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -305.806860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.806860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.806860 (E_RNA)
where:
Base-Base interactions energy: -213.653
where: short stacking energy: -92.302
Base-Backbone interact. energy: -0.106
local terms energy: -92.048619
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -26.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -285.826048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.826048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.826048 (E_RNA)
where:
Base-Base interactions energy: -192.188
where: short stacking energy: -82.059
Base-Backbone interact. energy: 0.002
local terms energy: -93.640687
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -12.899
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: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -280.329748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.329748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.329748 (E_RNA)
where:
Base-Base interactions energy: -188.595
where: short stacking energy: -95.316
Base-Backbone interact. energy: -2.967
local terms energy: -88.767376
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -28.190
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: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -272.841336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.841336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.841336 (E_RNA)
where:
Base-Base interactions energy: -181.358
where: short stacking energy: -78.494
Base-Backbone interact. energy: -0.086
local terms energy: -91.397286
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -24.287
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: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -257.755391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.755391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.755391 (E_RNA)
where:
Base-Base interactions energy: -179.271
where: short stacking energy: -78.535
Base-Backbone interact. energy: -0.071
local terms energy: -78.413285
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -19.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -235.738873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.738873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.738873 (E_RNA)
where:
Base-Base interactions energy: -144.009
where: short stacking energy: -69.983
Base-Backbone interact. energy: -0.140
local terms energy: -91.589239
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -15.240
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: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -238.920039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.920039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.920039 (E_RNA)
where:
Base-Base interactions energy: -154.614
where: short stacking energy: -65.435
Base-Backbone interact. energy: -0.274
local terms energy: -84.032081
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -99.236690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.236690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.236690 (E_RNA)
where:
Base-Base interactions energy: -33.320
where: short stacking energy: -31.777
Base-Backbone interact. energy: -0.124
local terms energy: -65.791879
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -85.736915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.736915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.736915 (E_RNA)
where:
Base-Base interactions energy: -26.100
where: short stacking energy: -25.033
Base-Backbone interact. energy: 0.605
local terms energy: -60.241763
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -88.983452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.983452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.983452 (E_RNA)
where:
Base-Base interactions energy: -23.899
where: short stacking energy: -22.859
Base-Backbone interact. energy: -0.450
local terms energy: -64.633943
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -0.496
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: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -304.827225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.827225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.827225 (E_RNA)
where:
Base-Base interactions energy: -208.614
where: short stacking energy: -88.826
Base-Backbone interact. energy: -0.049
local terms energy: -96.163591
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -10.880
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: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -283.828086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.828086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.828086 (E_RNA)
where:
Base-Base interactions energy: -195.597
where: short stacking energy: -87.903
Base-Backbone interact. energy: -0.040
local terms energy: -88.191192
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -26.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -280.507911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.507911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.507911 (E_RNA)
where:
Base-Base interactions energy: -190.763
where: short stacking energy: -81.133
Base-Backbone interact. energy: -0.052
local terms energy: -89.692649
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -255.273503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.273503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.273503 (E_RNA)
where:
Base-Base interactions energy: -166.632
where: short stacking energy: -73.633
Base-Backbone interact. energy: -0.013
local terms energy: -88.627746
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -272.556136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.556136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.556136 (E_RNA)
where:
Base-Base interactions energy: -177.813
where: short stacking energy: -79.992
Base-Backbone interact. energy: -0.568
local terms energy: -94.174691
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -238.992125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.992125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.992125 (E_RNA)
where:
Base-Base interactions energy: -159.346
where: short stacking energy: -69.322
Base-Backbone interact. energy: 0.921
local terms energy: -80.567503
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -249.171372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.171372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.171372 (E_RNA)
where:
Base-Base interactions energy: -161.001
where: short stacking energy: -65.371
Base-Backbone interact. energy: -0.118
local terms energy: -88.052504
where:
bonds (distance) C4'-P energy: -19.987
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -23.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -105.926118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.926118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.926118 (E_RNA)
where:
Base-Base interactions energy: -40.122
where: short stacking energy: -38.048
Base-Backbone interact. energy: -0.155
local terms energy: -65.648845
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -4.695
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: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -88.330636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.330636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.330636 (E_RNA)
where:
Base-Base interactions energy: -29.833
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.580
local terms energy: -57.917205
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -18.257
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: 3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -86.012402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.012402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.012402 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -22.635
Base-Backbone interact. energy: -0.313
local terms energy: -54.305371
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -297.038007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.038007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.038007 (E_RNA)
where:
Base-Base interactions energy: -205.704
where: short stacking energy: -85.846
Base-Backbone interact. energy: -0.496
local terms energy: -90.838207
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -24.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -288.252110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.252110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.252110 (E_RNA)
where:
Base-Base interactions energy: -194.055
where: short stacking energy: -90.196
Base-Backbone interact. energy: -0.008
local terms energy: -94.188577
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -26.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -257.369713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.369713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.369713 (E_RNA)
where:
Base-Base interactions energy: -164.245
where: short stacking energy: -75.025
Base-Backbone interact. energy: -0.197
local terms energy: -92.927162
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -271.966795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.966795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.966795 (E_RNA)
where:
Base-Base interactions energy: -179.582
where: short stacking energy: -77.097
Base-Backbone interact. energy: 1.006
local terms energy: -93.390272
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -25.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -247.376531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.376531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.376531 (E_RNA)
where:
Base-Base interactions energy: -168.880
where: short stacking energy: -62.272
Base-Backbone interact. energy: -0.320
local terms energy: -78.177009
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -16.996
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: 410
Temperature: 1.150000
Total energy: -263.926115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.926115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.926115 (E_RNA)
where:
Base-Base interactions energy: -174.950
where: short stacking energy: -73.971
Base-Backbone interact. energy: -0.209
local terms energy: -88.767564
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -15.983
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: 7, replica: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -246.141697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.141697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.141697 (E_RNA)
where:
Base-Base interactions energy: -163.966
where: short stacking energy: -74.652
Base-Backbone interact. energy: -0.141
local terms energy: -82.034435
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -105.212132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.212132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.212132 (E_RNA)
where:
Base-Base interactions energy: -47.774
where: short stacking energy: -35.515
Base-Backbone interact. energy: 0.308
local terms energy: -57.746225
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -4.700
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -92.280720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.280720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.280720 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -23.247
Base-Backbone interact. energy: -0.159
local terms energy: -54.585971
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -0.694
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -93.316108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.316108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.316108 (E_RNA)
where:
Base-Base interactions energy: -43.616
where: short stacking energy: -24.319
Base-Backbone interact. energy: -0.576
local terms energy: -49.123977
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -298.285387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.285387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.285387 (E_RNA)
where:
Base-Base interactions energy: -207.205
where: short stacking energy: -81.885
Base-Backbone interact. energy: 0.266
local terms energy: -91.346271
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -27.355
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: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -268.428655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.428655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.428655 (E_RNA)
where:
Base-Base interactions energy: -172.865
where: short stacking energy: -80.319
Base-Backbone interact. energy: -0.042
local terms energy: -95.521221
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -19.372
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: 411
Temperature: 1.000000
Total energy: -285.595609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.595609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.595609 (E_RNA)
where:
Base-Base interactions energy: -188.277
where: short stacking energy: -80.232
Base-Backbone interact. energy: -0.001
local terms energy: -97.317635
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -27.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -251.290618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.290618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.290618 (E_RNA)
where:
Base-Base interactions energy: -163.547
where: short stacking energy: -74.839
Base-Backbone interact. energy: -0.307
local terms energy: -87.436620
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -239.087412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.087412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.087412 (E_RNA)
where:
Base-Base interactions energy: -153.611
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.996
local terms energy: -84.480326
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -19.553
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: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -272.722724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.722724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.722724 (E_RNA)
where:
Base-Base interactions energy: -188.502
where: short stacking energy: -77.390
Base-Backbone interact. energy: -0.003
local terms energy: -84.218258
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -231.598294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.598294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.598294 (E_RNA)
where:
Base-Base interactions energy: -144.703
where: short stacking energy: -60.486
Base-Backbone interact. energy: -0.389
local terms energy: -86.506322
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -23.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -113.743504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.743504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.743504 (E_RNA)
where:
Base-Base interactions energy: -47.109
where: short stacking energy: -45.318
Base-Backbone interact. energy: 1.313
local terms energy: -67.946969
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -8.616
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: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -95.214226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.214226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.214226 (E_RNA)
where:
Base-Base interactions energy: -33.184
where: short stacking energy: -30.275
Base-Backbone interact. energy: -0.915
local terms energy: -61.115538
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -96.821560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.821560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.821560 (E_RNA)
where:
Base-Base interactions energy: -34.377
where: short stacking energy: -30.809
Base-Backbone interact. energy: -0.115
local terms energy: -62.329704
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -6.478
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: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -298.601284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.601284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.601284 (E_RNA)
where:
Base-Base interactions energy: -211.422
where: short stacking energy: -84.611
Base-Backbone interact. energy: -0.021
local terms energy: -87.158302
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -28.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -277.369486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.369486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.369486 (E_RNA)
where:
Base-Base interactions energy: -198.509
where: short stacking energy: -79.347
Base-Backbone interact. energy: 0.495
local terms energy: -79.355907
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -13.222
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: 3, replica: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -284.658100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.658100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.658100 (E_RNA)
where:
Base-Base interactions energy: -189.613
where: short stacking energy: -88.451
Base-Backbone interact. energy: -0.204
local terms energy: -94.840650
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -11.948
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: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -251.555636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.555636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.555636 (E_RNA)
where:
Base-Base interactions energy: -161.316
where: short stacking energy: -71.252
Base-Backbone interact. energy: -0.050
local terms energy: -90.190013
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -12.591
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: 5, replica: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -258.122662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.122662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.122662 (E_RNA)
where:
Base-Base interactions energy: -164.024
where: short stacking energy: -72.637
Base-Backbone interact. energy: -0.058
local terms energy: -94.040087
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -23.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -240.255520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.255520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.255520 (E_RNA)
where:
Base-Base interactions energy: -156.389
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.026
local terms energy: -83.840777
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -13.250
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: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -234.514552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.514552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.514552 (E_RNA)
where:
Base-Base interactions energy: -161.388
where: short stacking energy: -64.550
Base-Backbone interact. energy: -0.014
local terms energy: -73.112665
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -17.444
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: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -102.052523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.052523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.052523 (E_RNA)
where:
Base-Base interactions energy: -40.790
where: short stacking energy: -35.896
Base-Backbone interact. energy: 0.541
local terms energy: -61.803088
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -101.939876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.939876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.939876 (E_RNA)
where:
Base-Base interactions energy: -42.733
where: short stacking energy: -33.002
Base-Backbone interact. energy: -0.304
local terms energy: -58.902866
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -4.439
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: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -86.127584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.127584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.127584 (E_RNA)
where:
Base-Base interactions energy: -33.103
where: short stacking energy: -25.296
Base-Backbone interact. energy: 0.369
local terms energy: -53.393731
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: 0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -297.021295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.021295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.021295 (E_RNA)
where:
Base-Base interactions energy: -196.533
where: short stacking energy: -82.943
Base-Backbone interact. energy: -0.072
local terms energy: -100.416324
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -285.234009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.234009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.234009 (E_RNA)
where:
Base-Base interactions energy: -187.866
where: short stacking energy: -92.139
Base-Backbone interact. energy: -0.011
local terms energy: -97.357570
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -26.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -277.641803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.641803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.641803 (E_RNA)
where:
Base-Base interactions energy: -193.742
where: short stacking energy: -80.604
Base-Backbone interact. energy: -0.104
local terms energy: -83.796097
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -282.906616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.906616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.906616 (E_RNA)
where:
Base-Base interactions energy: -191.965
where: short stacking energy: -82.297
Base-Backbone interact. energy: -0.370
local terms energy: -90.571201
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -249.241241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.241241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.241241 (E_RNA)
where:
Base-Base interactions energy: -164.623
where: short stacking energy: -74.253
Base-Backbone interact. energy: -0.022
local terms energy: -84.596487
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -24.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -239.996060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.996060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.996060 (E_RNA)
where:
Base-Base interactions energy: -172.180
where: short stacking energy: -69.410
Base-Backbone interact. energy: -0.233
local terms energy: -67.582306
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -224.493470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.493470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.493470 (E_RNA)
where:
Base-Base interactions energy: -146.928
where: short stacking energy: -72.590
Base-Backbone interact. energy: -0.087
local terms energy: -77.478776
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -21.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -104.765380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.765380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.765380 (E_RNA)
where:
Base-Base interactions energy: -48.202
where: short stacking energy: -23.529
Base-Backbone interact. energy: -0.267
local terms energy: -56.295795
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -115.436187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.436187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.436187 (E_RNA)
where:
Base-Base interactions energy: -52.100
where: short stacking energy: -23.634
Base-Backbone interact. energy: 0.916
local terms energy: -64.252392
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -0.732
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: 10, replica: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -90.024695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.024695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.024695 (E_RNA)
where:
Base-Base interactions energy: -47.724
where: short stacking energy: -25.897
Base-Backbone interact. energy: -0.346
local terms energy: -41.954834
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: 5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -288.450141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.450141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.450141 (E_RNA)
where:
Base-Base interactions energy: -195.971
where: short stacking energy: -83.168
Base-Backbone interact. energy: -0.062
local terms energy: -92.417415
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -26.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -279.380524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.380524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.380524 (E_RNA)
where:
Base-Base interactions energy: -194.255
where: short stacking energy: -87.097
Base-Backbone interact. energy: -0.132
local terms energy: -84.993078
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -11.543
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: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -286.110969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.110969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.110969 (E_RNA)
where:
Base-Base interactions energy: -188.241
where: short stacking energy: -87.021
Base-Backbone interact. energy: -0.063
local terms energy: -97.807524
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -24.453
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: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -281.802820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.802820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.802820 (E_RNA)
where:
Base-Base interactions energy: -191.668
where: short stacking energy: -73.970
Base-Backbone interact. energy: -0.014
local terms energy: -90.120760
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -25.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -250.138463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.138463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.138463 (E_RNA)
where:
Base-Base interactions energy: -169.701
where: short stacking energy: -68.408
Base-Backbone interact. energy: 0.579
local terms energy: -81.016352
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -250.832261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.832261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.832261 (E_RNA)
where:
Base-Base interactions energy: -174.530
where: short stacking energy: -70.348
Base-Backbone interact. energy: -0.145
local terms energy: -76.157139
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -248.803602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.803602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.803602 (E_RNA)
where:
Base-Base interactions energy: -167.359
where: short stacking energy: -76.902
Base-Backbone interact. energy: 0.851
local terms energy: -82.295600
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -92.073382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.073382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.073382 (E_RNA)
where:
Base-Base interactions energy: -33.010
where: short stacking energy: -29.631
Base-Backbone interact. energy: 1.693
local terms energy: -60.756974
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -3.370
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: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -112.280522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.280522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.280522 (E_RNA)
where:
Base-Base interactions energy: -53.080
where: short stacking energy: -19.885
Base-Backbone interact. energy: -0.111
local terms energy: -59.089185
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: 1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -94.210700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.210700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.210700 (E_RNA)
where:
Base-Base interactions energy: -37.218
where: short stacking energy: -33.155
Base-Backbone interact. energy: -1.297
local terms energy: -55.695483
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -2.741
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: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -290.106409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.106409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.106409 (E_RNA)
where:
Base-Base interactions energy: -201.955
where: short stacking energy: -88.610
Base-Backbone interact. energy: -0.079
local terms energy: -88.072214
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -26.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -285.890662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.890662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.890662 (E_RNA)
where:
Base-Base interactions energy: -189.621
where: short stacking energy: -87.422
Base-Backbone interact. energy: -1.472
local terms energy: -94.797011
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -22.511
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: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -284.570791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.570791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.570791 (E_RNA)
where:
Base-Base interactions energy: -196.955
where: short stacking energy: -83.699
Base-Backbone interact. energy: -0.277
local terms energy: -87.338394
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -273.500507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.500507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.500507 (E_RNA)
where:
Base-Base interactions energy: -188.153
where: short stacking energy: -70.625
Base-Backbone interact. energy: -0.179
local terms energy: -85.168021
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -23.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -238.481828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.481828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.481828 (E_RNA)
where:
Base-Base interactions energy: -153.976
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.046
local terms energy: -84.460152
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -256.506790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.506790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.506790 (E_RNA)
where:
Base-Base interactions energy: -172.194
where: short stacking energy: -75.964
Base-Backbone interact. energy: 0.771
local terms energy: -85.084041
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -18.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -236.897717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.897717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.897717 (E_RNA)
where:
Base-Base interactions energy: -157.441
where: short stacking energy: -65.553
Base-Backbone interact. energy: -0.057
local terms energy: -79.400035
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -13.304
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: 2
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -91.757877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.757877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.757877 (E_RNA)
where:
Base-Base interactions energy: -31.600
where: short stacking energy: -30.778
Base-Backbone interact. energy: 0.117
local terms energy: -60.274458
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -100.069072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.069072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.069072 (E_RNA)
where:
Base-Base interactions energy: -41.753
where: short stacking energy: -38.725
Base-Backbone interact. energy: -0.430
local terms energy: -57.886030
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -85.600149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.600149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.600149 (E_RNA)
where:
Base-Base interactions energy: -43.631
where: short stacking energy: -42.090
Base-Backbone interact. energy: -0.231
local terms energy: -41.737654
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: 1.884
tors. eta vs tors. theta energy: -0.927
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: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -297.235498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.235498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.235498 (E_RNA)
where:
Base-Base interactions energy: -207.021
where: short stacking energy: -85.749
Base-Backbone interact. energy: -0.126
local terms energy: -90.088302
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -26.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -283.296523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.296523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.296523 (E_RNA)
where:
Base-Base interactions energy: -188.770
where: short stacking energy: -79.379
Base-Backbone interact. energy: -0.102
local terms energy: -94.424326
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -23.539
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: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -291.537859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.537859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.537859 (E_RNA)
where:
Base-Base interactions energy: -192.548
where: short stacking energy: -80.448
Base-Backbone interact. energy: -0.105
local terms energy: -98.884056
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -13.010
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: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -273.327716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.327716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.327716 (E_RNA)
where:
Base-Base interactions energy: -187.710
where: short stacking energy: -78.372
Base-Backbone interact. energy: -1.529
local terms energy: -84.088600
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -22.194
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: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -222.194398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.194398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.194398 (E_RNA)
where:
Base-Base interactions energy: -144.436
where: short stacking energy: -61.595
Base-Backbone interact. energy: -0.152
local terms energy: -77.607096
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -15.071
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: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -234.706455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.706455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.706455 (E_RNA)
where:
Base-Base interactions energy: -152.491
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.449
local terms energy: -81.767252
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -11.210
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: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -241.310550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.310550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.310550 (E_RNA)
where:
Base-Base interactions energy: -163.456
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.470
local terms energy: -77.385280
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -98.110606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.110606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.110606 (E_RNA)
where:
Base-Base interactions energy: -38.389
where: short stacking energy: -30.018
Base-Backbone interact. energy: -0.139
local terms energy: -59.583279
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -92.003128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.003128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.003128 (E_RNA)
where:
Base-Base interactions energy: -31.093
where: short stacking energy: -17.889
Base-Backbone interact. energy: -0.378
local terms energy: -60.532103
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: 2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -98.218500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.218500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.218500 (E_RNA)
where:
Base-Base interactions energy: -38.953
where: short stacking energy: -36.296
Base-Backbone interact. energy: -0.094
local terms energy: -59.171542
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -5.712
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: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -309.535319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.535319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.535319 (E_RNA)
where:
Base-Base interactions energy: -216.992
where: short stacking energy: -87.467
Base-Backbone interact. energy: -0.118
local terms energy: -92.425503
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -28.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -298.838334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.838334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.838334 (E_RNA)
where:
Base-Base interactions energy: -205.587
where: short stacking energy: -83.697
Base-Backbone interact. energy: -0.415
local terms energy: -92.836139
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -14.110
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: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -278.259427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.259427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.259427 (E_RNA)
where:
Base-Base interactions energy: -191.026
where: short stacking energy: -80.977
Base-Backbone interact. energy: -0.128
local terms energy: -87.105601
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -21.999
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: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -279.669335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.669335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.669335 (E_RNA)
where:
Base-Base interactions energy: -181.286
where: short stacking energy: -79.964
Base-Backbone interact. energy: -0.003
local terms energy: -98.380435
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -14.684
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: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -235.971231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.971231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.971231 (E_RNA)
where:
Base-Base interactions energy: -155.503
where: short stacking energy: -56.310
Base-Backbone interact. energy: 0.211
local terms energy: -80.679160
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -267.874592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.874592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.874592 (E_RNA)
where:
Base-Base interactions energy: -184.403
where: short stacking energy: -79.718
Base-Backbone interact. energy: -0.134
local terms energy: -83.337443
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -24.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -226.956278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.956278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.956278 (E_RNA)
where:
Base-Base interactions energy: -149.567
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.558
local terms energy: -76.830494
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -16.713
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: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -120.240852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.240852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.240852 (E_RNA)
where:
Base-Base interactions energy: -58.578
where: short stacking energy: -33.213
Base-Backbone interact. energy: 0.135
local terms energy: -61.797863
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -106.526962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.526962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.526962 (E_RNA)
where:
Base-Base interactions energy: -38.171
where: short stacking energy: -30.721
Base-Backbone interact. energy: -0.159
local terms energy: -68.197528
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -87.655666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.655666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.655666 (E_RNA)
where:
Base-Base interactions energy: -27.888
where: short stacking energy: -27.888
Base-Backbone interact. energy: -0.225
local terms energy: -59.543171
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -299.763024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.763024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.763024 (E_RNA)
where:
Base-Base interactions energy: -199.334
where: short stacking energy: -84.731
Base-Backbone interact. energy: -0.239
local terms energy: -100.189893
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -287.587809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.587809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.587809 (E_RNA)
where:
Base-Base interactions energy: -190.446
where: short stacking energy: -86.626
Base-Backbone interact. energy: -0.111
local terms energy: -97.030403
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -287.981257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.981257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.981257 (E_RNA)
where:
Base-Base interactions energy: -193.215
where: short stacking energy: -88.301
Base-Backbone interact. energy: -0.076
local terms energy: -94.690432
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -20.951
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -25.380
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: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -270.094484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.094484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.094484 (E_RNA)
where:
Base-Base interactions energy: -179.289
where: short stacking energy: -79.433
Base-Backbone interact. energy: -0.077
local terms energy: -90.728279
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -19.937
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: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -270.621215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.621215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.621215 (E_RNA)
where:
Base-Base interactions energy: -183.219
where: short stacking energy: -72.195
Base-Backbone interact. energy: -0.007
local terms energy: -87.395781
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -11.661
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: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -264.553732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.553732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.553732 (E_RNA)
where:
Base-Base interactions energy: -174.598
where: short stacking energy: -77.403
Base-Backbone interact. energy: -0.372
local terms energy: -89.583896
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -21.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -234.989466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.989466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.989466 (E_RNA)
where:
Base-Base interactions energy: -160.362
where: short stacking energy: -61.211
Base-Backbone interact. energy: 1.052
local terms energy: -75.679144
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -19.512
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: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -113.177467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.177467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.177467 (E_RNA)
where:
Base-Base interactions energy: -61.769
where: short stacking energy: -32.074
Base-Backbone interact. energy: -0.652
local terms energy: -50.756996
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -111.184635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.184635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.184635 (E_RNA)
where:
Base-Base interactions energy: -50.543
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.462
local terms energy: -60.179394
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -85.840807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.840807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.840807 (E_RNA)
where:
Base-Base interactions energy: -34.647
where: short stacking energy: -25.723
Base-Backbone interact. energy: 2.104
local terms energy: -53.296921
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -1.952
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: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -296.551261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.551261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.551261 (E_RNA)
where:
Base-Base interactions energy: -201.537
where: short stacking energy: -84.372
Base-Backbone interact. energy: -0.040
local terms energy: -94.974561
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -23.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -306.056722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.056722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.056722 (E_RNA)
where:
Base-Base interactions energy: -211.496
where: short stacking energy: -87.143
Base-Backbone interact. energy: -0.135
local terms energy: -94.425870
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -24.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -277.308498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.308498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.308498 (E_RNA)
where:
Base-Base interactions energy: -183.233
where: short stacking energy: -83.835
Base-Backbone interact. energy: 0.529
local terms energy: -94.604430
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -26.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -279.799534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.799534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.799534 (E_RNA)
where:
Base-Base interactions energy: -183.994
where: short stacking energy: -93.456
Base-Backbone interact. energy: -0.006
local terms energy: -95.799664
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -29.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -266.435379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.435379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.435379 (E_RNA)
where:
Base-Base interactions energy: -174.298
where: short stacking energy: -77.948
Base-Backbone interact. energy: -0.017
local terms energy: -92.120126
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -235.900778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.900778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.900778 (E_RNA)
where:
Base-Base interactions energy: -163.993
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.135
local terms energy: -71.772355
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -258.861250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.861250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.861250 (E_RNA)
where:
Base-Base interactions energy: -174.060
where: short stacking energy: -76.142
Base-Backbone interact. energy: 1.389
local terms energy: -86.189542
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -11.000
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: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -114.036885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.036885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.036885 (E_RNA)
where:
Base-Base interactions energy: -49.897
where: short stacking energy: -33.943
Base-Backbone interact. energy: -0.184
local terms energy: -63.956354
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -100.703495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.703495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.703495 (E_RNA)
where:
Base-Base interactions energy: -52.983
where: short stacking energy: -23.711
Base-Backbone interact. energy: 0.349
local terms energy: -48.069736
where:
bonds (distance) C4'-P energy: -6.206
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -4.033
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: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -89.240368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.240368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.240368 (E_RNA)
where:
Base-Base interactions energy: -37.202
where: short stacking energy: -28.213
Base-Backbone interact. energy: -0.026
local terms energy: -52.011455
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -289.516127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.516127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.516127 (E_RNA)
where:
Base-Base interactions energy: -196.724
where: short stacking energy: -83.375
Base-Backbone interact. energy: -1.886
local terms energy: -90.906234
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -23.036
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: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -290.397406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.397406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.397406 (E_RNA)
where:
Base-Base interactions energy: -196.367
where: short stacking energy: -80.628
Base-Backbone interact. energy: -0.045
local terms energy: -93.985274
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -24.405
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: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -284.763559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.763559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.763559 (E_RNA)
where:
Base-Base interactions energy: -188.467
where: short stacking energy: -84.258
Base-Backbone interact. energy: -0.161
local terms energy: -96.135839
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -24.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -271.935727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.935727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.935727 (E_RNA)
where:
Base-Base interactions energy: -179.232
where: short stacking energy: -83.058
Base-Backbone interact. energy: -0.045
local terms energy: -92.658054
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -25.506
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: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -271.457811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.457811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.457811 (E_RNA)
where:
Base-Base interactions energy: -180.534
where: short stacking energy: -72.773
Base-Backbone interact. energy: -0.006
local terms energy: -90.917498
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -21.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -233.975057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.975057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.975057 (E_RNA)
where:
Base-Base interactions energy: -155.103
where: short stacking energy: -72.147
Base-Backbone interact. energy: -0.057
local terms energy: -78.814596
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -232.331497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.331497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.331497 (E_RNA)
where:
Base-Base interactions energy: -155.881
where: short stacking energy: -67.507
Base-Backbone interact. energy: 1.009
local terms energy: -77.459243
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -98.117646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.117646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.117646 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -27.038
Base-Backbone interact. energy: -0.548
local terms energy: -63.017236
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -93.300030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.300030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.300030 (E_RNA)
where:
Base-Base interactions energy: -39.440
where: short stacking energy: -30.542
Base-Backbone interact. energy: 0.611
local terms energy: -54.471721
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: 4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -88.476097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.476097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.476097 (E_RNA)
where:
Base-Base interactions energy: -21.839
where: short stacking energy: -19.727
Base-Backbone interact. energy: -0.205
local terms energy: -66.432043
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -5.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -294.227343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.227343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.227343 (E_RNA)
where:
Base-Base interactions energy: -206.184
where: short stacking energy: -87.992
Base-Backbone interact. energy: -0.370
local terms energy: -87.673777
where:
bonds (distance) C4'-P energy: -19.899
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -280.646347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.646347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.646347 (E_RNA)
where:
Base-Base interactions energy: -191.940
where: short stacking energy: -83.256
Base-Backbone interact. energy: -0.168
local terms energy: -88.537869
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -13.961
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: 3, replica: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -280.686915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.686915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.686915 (E_RNA)
where:
Base-Base interactions energy: -182.888
where: short stacking energy: -81.761
Base-Backbone interact. energy: -0.002
local terms energy: -97.797190
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -281.346807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.346807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.346807 (E_RNA)
where:
Base-Base interactions energy: -185.545
where: short stacking energy: -85.791
Base-Backbone interact. energy: -0.012
local terms energy: -95.790319
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -25.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -281.953900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.953900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.953900 (E_RNA)
where:
Base-Base interactions energy: -179.524
where: short stacking energy: -78.618
Base-Backbone interact. energy: -0.235
local terms energy: -102.194987
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -257.318375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.318375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.318375 (E_RNA)
where:
Base-Base interactions energy: -183.301
where: short stacking energy: -74.425
Base-Backbone interact. energy: -0.081
local terms energy: -73.937145
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -18.499
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: 421
Temperature: 1.200000
Total energy: -249.714496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.714496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.714496 (E_RNA)
where:
Base-Base interactions energy: -177.697
where: short stacking energy: -62.366
Base-Backbone interact. energy: -0.889
local terms energy: -71.129265
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -105.555954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.555954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.555954 (E_RNA)
where:
Base-Base interactions energy: -39.232
where: short stacking energy: -34.064
Base-Backbone interact. energy: -0.085
local terms energy: -66.239800
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -84.755469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.755469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.755469 (E_RNA)
where:
Base-Base interactions energy: -24.389
where: short stacking energy: -24.389
Base-Backbone interact. energy: 0.188
local terms energy: -60.554501
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -87.009119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.009119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.009119 (E_RNA)
where:
Base-Base interactions energy: -32.588
where: short stacking energy: -19.300
Base-Backbone interact. energy: -0.216
local terms energy: -54.205489
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -292.186706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.186706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.186706 (E_RNA)
where:
Base-Base interactions energy: -190.672
where: short stacking energy: -96.391
Base-Backbone interact. energy: 0.426
local terms energy: -101.940327
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -28.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -288.201032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.201032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.201032 (E_RNA)
where:
Base-Base interactions energy: -197.334
where: short stacking energy: -81.319
Base-Backbone interact. energy: -0.334
local terms energy: -90.532657
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -14.804
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: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -278.842478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.842478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.842478 (E_RNA)
where:
Base-Base interactions energy: -180.032
where: short stacking energy: -87.181
Base-Backbone interact. energy: -0.085
local terms energy: -98.725146
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -15.048
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: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -281.483098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.483098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.483098 (E_RNA)
where:
Base-Base interactions energy: -189.742
where: short stacking energy: -85.564
Base-Backbone interact. energy: -0.001
local terms energy: -91.740631
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -27.636
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: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -270.558925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.558925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.558925 (E_RNA)
where:
Base-Base interactions energy: -182.699
where: short stacking energy: -74.951
Base-Backbone interact. energy: -0.003
local terms energy: -87.856624
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -272.220734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.220734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.220734 (E_RNA)
where:
Base-Base interactions energy: -187.523
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.036
local terms energy: -84.661835
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -21.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -237.484592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.484592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.484592 (E_RNA)
where:
Base-Base interactions energy: -158.691
where: short stacking energy: -67.235
Base-Backbone interact. energy: -0.246
local terms energy: -78.547798
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -108.760704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.760704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.760704 (E_RNA)
where:
Base-Base interactions energy: -44.223
where: short stacking energy: -28.558
Base-Backbone interact. energy: -0.705
local terms energy: -63.832058
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -105.696982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.696982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.696982 (E_RNA)
where:
Base-Base interactions energy: -49.268
where: short stacking energy: -35.054
Base-Backbone interact. energy: 0.512
local terms energy: -56.941006
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -89.391411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.391411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.391411 (E_RNA)
where:
Base-Base interactions energy: -36.920
where: short stacking energy: -27.913
Base-Backbone interact. energy: -0.273
local terms energy: -52.198576
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: 0.069
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -282.226415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.226415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.226415 (E_RNA)
where:
Base-Base interactions energy: -189.274
where: short stacking energy: -88.781
Base-Backbone interact. energy: -3.134
local terms energy: -89.818261
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -26.894
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: 423
Temperature: 0.950000
Total energy: -296.540923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.540923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.540923 (E_RNA)
where:
Base-Base interactions energy: -198.571
where: short stacking energy: -91.585
Base-Backbone interact. energy: -0.012
local terms energy: -97.957660
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -23.307
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: 423
Temperature: 1.000000
Total energy: -272.334994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.334994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.334994 (E_RNA)
where:
Base-Base interactions energy: -186.366
where: short stacking energy: -78.436
Base-Backbone interact. energy: -0.910
local terms energy: -85.059134
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -273.383493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.383493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.383493 (E_RNA)
where:
Base-Base interactions energy: -182.083
where: short stacking energy: -76.748
Base-Backbone interact. energy: -0.017
local terms energy: -91.283449
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -26.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -260.174700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.174700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.174700 (E_RNA)
where:
Base-Base interactions energy: -170.003
where: short stacking energy: -74.367
Base-Backbone interact. energy: -0.037
local terms energy: -90.134660
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -16.397
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: 6, replica: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -270.166165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.166165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.166165 (E_RNA)
where:
Base-Base interactions energy: -177.121
where: short stacking energy: -76.448
Base-Backbone interact. energy: -0.074
local terms energy: -92.971870
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -213.098192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.098192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.098192 (E_RNA)
where:
Base-Base interactions energy: -139.791
where: short stacking energy: -65.410
Base-Backbone interact. energy: -0.165
local terms energy: -73.142076
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -117.681038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.681038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.681038 (E_RNA)
where:
Base-Base interactions energy: -62.126
where: short stacking energy: -31.177
Base-Backbone interact. energy: -0.049
local terms energy: -55.505894
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: 0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -112.628914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.628914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.628914 (E_RNA)
where:
Base-Base interactions energy: -42.869
where: short stacking energy: -41.307
Base-Backbone interact. energy: -0.233
local terms energy: -69.526908
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -12.043
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: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -97.475947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.475947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.475947 (E_RNA)
where:
Base-Base interactions energy: -36.125
where: short stacking energy: -33.238
Base-Backbone interact. energy: -0.213
local terms energy: -61.138116
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -12.889
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: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -299.459373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.459373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.459373 (E_RNA)
where:
Base-Base interactions energy: -200.680
where: short stacking energy: -95.972
Base-Backbone interact. energy: -0.001
local terms energy: -98.778257
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -30.767
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: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -280.747338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.747338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.747338 (E_RNA)
where:
Base-Base interactions energy: -187.157
where: short stacking energy: -89.978
Base-Backbone interact. energy: 0.059
local terms energy: -93.649561
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -285.577006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.577006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.577006 (E_RNA)
where:
Base-Base interactions energy: -195.942
where: short stacking energy: -81.946
Base-Backbone interact. energy: -0.069
local terms energy: -89.566692
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -281.314968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.314968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.314968 (E_RNA)
where:
Base-Base interactions energy: -188.661
where: short stacking energy: -82.695
Base-Backbone interact. energy: -0.023
local terms energy: -92.631242
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -25.524
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: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -277.377488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.377488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.377488 (E_RNA)
where:
Base-Base interactions energy: -185.928
where: short stacking energy: -77.167
Base-Backbone interact. energy: -0.635
local terms energy: -90.814435
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -24.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -244.615367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.615367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.615367 (E_RNA)
where:
Base-Base interactions energy: -155.361
where: short stacking energy: -71.369
Base-Backbone interact. energy: -0.049
local terms energy: -89.205812
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -24.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -146.002809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.002809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.002809 (E_RNA)
where:
Base-Base interactions energy: -78.257
where: short stacking energy: -46.024
Base-Backbone interact. energy: -0.241
local terms energy: -67.503887
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -234.177239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.177239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.177239 (E_RNA)
where:
Base-Base interactions energy: -163.835
where: short stacking energy: -68.134
Base-Backbone interact. energy: 2.685
local terms energy: -73.027350
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -84.349452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.349452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.349452 (E_RNA)
where:
Base-Base interactions energy: -31.818
where: short stacking energy: -31.818
Base-Backbone interact. energy: -0.252
local terms energy: -52.279460
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -7.360
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: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -84.582136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.582136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.582136 (E_RNA)
where:
Base-Base interactions energy: -25.170
where: short stacking energy: -24.883
Base-Backbone interact. energy: -0.145
local terms energy: -59.266800
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -291.312428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.312428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.312428 (E_RNA)
where:
Base-Base interactions energy: -191.986
where: short stacking energy: -88.604
Base-Backbone interact. energy: -0.462
local terms energy: -98.864175
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -25.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -286.872832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.872832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.872832 (E_RNA)
where:
Base-Base interactions energy: -201.237
where: short stacking energy: -73.867
Base-Backbone interact. energy: -0.108
local terms energy: -85.528060
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -15.074
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: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -274.462754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.462754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.462754 (E_RNA)
where:
Base-Base interactions energy: -187.323
where: short stacking energy: -75.002
Base-Backbone interact. energy: -0.101
local terms energy: -87.038849
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -282.367262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.367262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.367262 (E_RNA)
where:
Base-Base interactions energy: -187.317
where: short stacking energy: -85.567
Base-Backbone interact. energy: -0.186
local terms energy: -94.864489
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -27.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -266.893912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.893912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.893912 (E_RNA)
where:
Base-Base interactions energy: -179.249
where: short stacking energy: -75.608
Base-Backbone interact. energy: -0.206
local terms energy: -87.438524
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -22.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -235.780612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.780612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.780612 (E_RNA)
where:
Base-Base interactions energy: -149.790
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.071
local terms energy: -85.919126
where:
bonds (distance) C4'-P energy: -21.250
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -157.025286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.025286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.025286 (E_RNA)
where:
Base-Base interactions energy: -96.365
where: short stacking energy: -44.609
Base-Backbone interact. energy: -0.593
local terms energy: -60.067195
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -236.795027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.795027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.795027 (E_RNA)
where:
Base-Base interactions energy: -160.110
where: short stacking energy: -72.144
Base-Backbone interact. energy: -0.116
local terms energy: -76.569516
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -9.379
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: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -86.949406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.949406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.949406 (E_RNA)
where:
Base-Base interactions energy: -38.416
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.000
local terms energy: -48.532692
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -7.843
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -4.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -94.110696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.110696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.110696 (E_RNA)
where:
Base-Base interactions energy: -38.857
where: short stacking energy: -35.298
Base-Backbone interact. energy: 2.962
local terms energy: -58.216125
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -295.881716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.881716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.881716 (E_RNA)
where:
Base-Base interactions energy: -197.878
where: short stacking energy: -83.625
Base-Backbone interact. energy: -0.079
local terms energy: -97.924694
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -25.265
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: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -286.878468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.878468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.878468 (E_RNA)
where:
Base-Base interactions energy: -202.025
where: short stacking energy: -92.268
Base-Backbone interact. energy: -0.068
local terms energy: -84.785606
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -26.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -283.874400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.874400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.874400 (E_RNA)
where:
Base-Base interactions energy: -191.030
where: short stacking energy: -86.630
Base-Backbone interact. energy: -0.001
local terms energy: -92.844145
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -28.173
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: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -268.200432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.200432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.200432 (E_RNA)
where:
Base-Base interactions energy: -178.451
where: short stacking energy: -86.739
Base-Backbone interact. energy: -0.099
local terms energy: -89.650481
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -28.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -255.313339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.313339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.313339 (E_RNA)
where:
Base-Base interactions energy: -170.888
where: short stacking energy: -79.951
Base-Backbone interact. energy: -0.110
local terms energy: -84.315372
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -13.199
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: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -266.637062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.637062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.637062 (E_RNA)
where:
Base-Base interactions energy: -181.782
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.377
local terms energy: -84.478698
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -234.832836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.832836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.832836 (E_RNA)
where:
Base-Base interactions energy: -159.727
where: short stacking energy: -67.690
Base-Backbone interact. energy: -0.042
local terms energy: -75.063692
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -160.445954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.445954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.445954 (E_RNA)
where:
Base-Base interactions energy: -87.311
where: short stacking energy: -51.124
Base-Backbone interact. energy: -0.070
local terms energy: -73.064560
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -91.088096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.088096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.088096 (E_RNA)
where:
Base-Base interactions energy: -34.406
where: short stacking energy: -31.794
Base-Backbone interact. energy: -0.077
local terms energy: -56.605377
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -90.555712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.555712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.555712 (E_RNA)
where:
Base-Base interactions energy: -32.067
where: short stacking energy: -29.953
Base-Backbone interact. energy: -0.217
local terms energy: -58.272595
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -302.457210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.457210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.457210 (E_RNA)
where:
Base-Base interactions energy: -210.646
where: short stacking energy: -85.500
Base-Backbone interact. energy: -0.084
local terms energy: -91.727862
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -24.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -278.082011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.082011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.082011 (E_RNA)
where:
Base-Base interactions energy: -181.496
where: short stacking energy: -74.276
Base-Backbone interact. energy: -0.145
local terms energy: -96.440792
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -22.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -273.000185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.000185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.000185 (E_RNA)
where:
Base-Base interactions energy: -182.869
where: short stacking energy: -78.808
Base-Backbone interact. energy: -0.001
local terms energy: -90.130632
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -11.631
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: 4, replica: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -270.642173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.642173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.642173 (E_RNA)
where:
Base-Base interactions energy: -192.087
where: short stacking energy: -79.222
Base-Backbone interact. energy: -0.131
local terms energy: -78.424304
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -14.549
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: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -264.895202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.895202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.895202 (E_RNA)
where:
Base-Base interactions energy: -182.604
where: short stacking energy: -76.271
Base-Backbone interact. energy: -0.002
local terms energy: -82.289268
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -22.696
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: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -235.071883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.071883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.071883 (E_RNA)
where:
Base-Base interactions energy: -147.667
where: short stacking energy: -72.322
Base-Backbone interact. energy: -0.315
local terms energy: -87.089717
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -249.135315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.135315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.135315 (E_RNA)
where:
Base-Base interactions energy: -169.076
where: short stacking energy: -83.340
Base-Backbone interact. energy: -0.069
local terms energy: -79.990371
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -10.667
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: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -101.624374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.624374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.624374 (E_RNA)
where:
Base-Base interactions energy: -43.209
where: short stacking energy: -40.145
Base-Backbone interact. energy: 0.395
local terms energy: -58.810479
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -2.493
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: 2
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -91.693589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.693589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.693589 (E_RNA)
where:
Base-Base interactions energy: -38.040
where: short stacking energy: -26.259
Base-Backbone interact. energy: -0.973
local terms energy: -52.681341
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -102.450183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.450183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.450183 (E_RNA)
where:
Base-Base interactions energy: -38.591
where: short stacking energy: -23.518
Base-Backbone interact. energy: -0.956
local terms energy: -62.902779
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -300.646581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.646581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.646581 (E_RNA)
where:
Base-Base interactions energy: -194.601
where: short stacking energy: -86.925
Base-Backbone interact. energy: -0.100
local terms energy: -105.945298
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -25.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -279.370084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.370084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.370084 (E_RNA)
where:
Base-Base interactions energy: -187.684
where: short stacking energy: -82.796
Base-Backbone interact. energy: -0.121
local terms energy: -91.565033
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -23.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -286.084037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.084037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.084037 (E_RNA)
where:
Base-Base interactions energy: -200.873
where: short stacking energy: -82.963
Base-Backbone interact. energy: -0.058
local terms energy: -85.153783
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -23.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -267.388203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.388203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.388203 (E_RNA)
where:
Base-Base interactions energy: -175.211
where: short stacking energy: -74.878
Base-Backbone interact. energy: -0.090
local terms energy: -92.087377
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -25.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -268.482696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.482696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.482696 (E_RNA)
where:
Base-Base interactions energy: -180.214
where: short stacking energy: -82.826
Base-Backbone interact. energy: -0.036
local terms energy: -88.232737
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -23.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -272.204483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.204483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.204483 (E_RNA)
where:
Base-Base interactions energy: -182.192
where: short stacking energy: -83.319
Base-Backbone interact. energy: -0.182
local terms energy: -89.830317
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -21.817
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -24.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -260.194540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.194540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.194540 (E_RNA)
where:
Base-Base interactions energy: -172.643
where: short stacking energy: -73.393
Base-Backbone interact. energy: -0.115
local terms energy: -87.437092
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -91.147275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.147275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.147275 (E_RNA)
where:
Base-Base interactions energy: -35.340
where: short stacking energy: -35.340
Base-Backbone interact. energy: 0.116
local terms energy: -55.922750
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -4.870
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -9.224
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: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -96.703307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.703307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.703307 (E_RNA)
where:
Base-Base interactions energy: -32.499
where: short stacking energy: -31.588
Base-Backbone interact. energy: -0.279
local terms energy: -63.925306
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -86.635317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.635317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.635317 (E_RNA)
where:
Base-Base interactions energy: -31.690
where: short stacking energy: -31.690
Base-Backbone interact. energy: -0.007
local terms energy: -54.938017
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -293.679865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.679865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.679865 (E_RNA)
where:
Base-Base interactions energy: -196.809
where: short stacking energy: -81.563
Base-Backbone interact. energy: -0.118
local terms energy: -96.752514
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -15.037
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: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -285.744170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.744170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.744170 (E_RNA)
where:
Base-Base interactions energy: -187.737
where: short stacking energy: -85.328
Base-Backbone interact. energy: -0.045
local terms energy: -97.962238
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -27.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -280.682047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.682047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.682047 (E_RNA)
where:
Base-Base interactions energy: -178.826
where: short stacking energy: -79.502
Base-Backbone interact. energy: 0.726
local terms energy: -102.581670
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -27.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -259.894454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.894454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.894454 (E_RNA)
where:
Base-Base interactions energy: -175.836
where: short stacking energy: -77.110
Base-Backbone interact. energy: -0.438
local terms energy: -83.620574
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -276.167049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.167049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.167049 (E_RNA)
where:
Base-Base interactions energy: -187.584
where: short stacking energy: -88.806
Base-Backbone interact. energy: -0.031
local terms energy: -88.551889
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -29.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -234.475925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.475925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.475925 (E_RNA)
where:
Base-Base interactions energy: -154.019
where: short stacking energy: -60.277
Base-Backbone interact. energy: -0.105
local terms energy: -80.351787
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -240.995242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.995242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.995242 (E_RNA)
where:
Base-Base interactions energy: -171.915
where: short stacking energy: -77.804
Base-Backbone interact. energy: -0.142
local terms energy: -68.937659
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -94.463523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.463523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.463523 (E_RNA)
where:
Base-Base interactions energy: -35.430
where: short stacking energy: -35.430
Base-Backbone interact. energy: -0.598
local terms energy: -58.435420
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -87.431820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.431820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.431820 (E_RNA)
where:
Base-Base interactions energy: -31.795
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.530
local terms energy: -55.107052
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -7.003
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -79.296007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.296007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.296007 (E_RNA)
where:
Base-Base interactions energy: -21.956
where: short stacking energy: -19.091
Base-Backbone interact. energy: -0.853
local terms energy: -56.486731
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: 5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -287.009083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.009083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.009083 (E_RNA)
where:
Base-Base interactions energy: -199.947
where: short stacking energy: -77.827
Base-Backbone interact. energy: -0.212
local terms energy: -86.850229
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -284.372778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.372778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.372778 (E_RNA)
where:
Base-Base interactions energy: -193.387
where: short stacking energy: -86.538
Base-Backbone interact. energy: -0.012
local terms energy: -90.973810
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -12.764
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: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -278.504819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.504819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.504819 (E_RNA)
where:
Base-Base interactions energy: -190.626
where: short stacking energy: -81.506
Base-Backbone interact. energy: -0.070
local terms energy: -87.808196
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -264.729836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.729836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.729836 (E_RNA)
where:
Base-Base interactions energy: -177.669
where: short stacking energy: -79.841
Base-Backbone interact. energy: -0.456
local terms energy: -86.604081
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -279.231132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.231132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.231132 (E_RNA)
where:
Base-Base interactions energy: -191.180
where: short stacking energy: -89.747
Base-Backbone interact. energy: -0.007
local terms energy: -88.044768
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -27.314
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: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -244.481392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.481392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.481392 (E_RNA)
where:
Base-Base interactions energy: -169.643
where: short stacking energy: -68.577
Base-Backbone interact. energy: -0.122
local terms energy: -74.716246
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -249.638770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.638770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.638770 (E_RNA)
where:
Base-Base interactions energy: -159.757
where: short stacking energy: -65.955
Base-Backbone interact. energy: -0.009
local terms energy: -89.873135
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -13.361
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: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -102.520459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.520459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.520459 (E_RNA)
where:
Base-Base interactions energy: -45.747
where: short stacking energy: -29.991
Base-Backbone interact. energy: -0.022
local terms energy: -56.751448
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -6.105
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: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -96.352379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.352379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.352379 (E_RNA)
where:
Base-Base interactions energy: -31.543
where: short stacking energy: -31.543
Base-Backbone interact. energy: 0.900
local terms energy: -65.709654
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -84.643352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.643352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.643352 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -26.667
Base-Backbone interact. energy: -0.730
local terms energy: -48.969808
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: 0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -294.763573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.763573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.763573 (E_RNA)
where:
Base-Base interactions energy: -201.671
where: short stacking energy: -82.921
Base-Backbone interact. energy: -0.091
local terms energy: -93.001518
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -27.455
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: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -288.267960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.267960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.267960 (E_RNA)
where:
Base-Base interactions energy: -188.163
where: short stacking energy: -93.443
Base-Backbone interact. energy: -0.049
local terms energy: -100.056361
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -27.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -281.066839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.066839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.066839 (E_RNA)
where:
Base-Base interactions energy: -186.960
where: short stacking energy: -81.830
Base-Backbone interact. energy: -0.018
local terms energy: -94.088468
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -14.931
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: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -267.255324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.255324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.255324 (E_RNA)
where:
Base-Base interactions energy: -183.038
where: short stacking energy: -74.318
Base-Backbone interact. energy: -0.127
local terms energy: -84.090356
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -23.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -252.412871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.412871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.412871 (E_RNA)
where:
Base-Base interactions energy: -162.233
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.947
local terms energy: -89.232672
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -254.752021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.752021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.752021 (E_RNA)
where:
Base-Base interactions energy: -175.545
where: short stacking energy: -69.297
Base-Backbone interact. energy: -0.072
local terms energy: -79.134961
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -227.829878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.829878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.829878 (E_RNA)
where:
Base-Base interactions energy: -143.295
where: short stacking energy: -64.913
Base-Backbone interact. energy: 1.584
local terms energy: -86.118838
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -20.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -93.742415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.742415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.742415 (E_RNA)
where:
Base-Base interactions energy: -39.702
where: short stacking energy: -34.988
Base-Backbone interact. energy: -0.275
local terms energy: -53.765441
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -100.830379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.830379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.830379 (E_RNA)
where:
Base-Base interactions energy: -37.254
where: short stacking energy: -37.254
Base-Backbone interact. energy: -0.421
local terms energy: -63.154982
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -7.301
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: 2
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -94.660871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.660871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.660871 (E_RNA)
where:
Base-Base interactions energy: -39.939
where: short stacking energy: -22.215
Base-Backbone interact. energy: 3.969
local terms energy: -58.690819
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -2.654
tors. eta vs tors. theta energy: -1.476
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: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -286.792552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.792552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.792552 (E_RNA)
where:
Base-Base interactions energy: -189.134
where: short stacking energy: -84.296
Base-Backbone interact. energy: -0.729
local terms energy: -96.929953
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -27.855
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: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -284.108156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.108156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.108156 (E_RNA)
where:
Base-Base interactions energy: -195.777
where: short stacking energy: -84.264
Base-Backbone interact. energy: -0.008
local terms energy: -88.322811
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -22.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -288.061756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.061756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.061756 (E_RNA)
where:
Base-Base interactions energy: -196.477
where: short stacking energy: -77.585
Base-Backbone interact. energy: -0.043
local terms energy: -91.542050
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -27.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -266.938210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.938210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.938210 (E_RNA)
where:
Base-Base interactions energy: -174.576
where: short stacking energy: -72.854
Base-Backbone interact. energy: -0.030
local terms energy: -92.332861
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -12.345
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: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -279.938667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.938667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.938667 (E_RNA)
where:
Base-Base interactions energy: -191.158
where: short stacking energy: -77.323
Base-Backbone interact. energy: -0.299
local terms energy: -88.481293
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -268.384564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.384564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.384564 (E_RNA)
where:
Base-Base interactions energy: -178.702
where: short stacking energy: -76.980
Base-Backbone interact. energy: -0.337
local terms energy: -89.346138
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -23.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -253.509668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.509668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.509668 (E_RNA)
where:
Base-Base interactions energy: -174.132
where: short stacking energy: -76.606
Base-Backbone interact. energy: -0.007
local terms energy: -79.371111
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -9.651
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: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -93.435005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.435005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.435005 (E_RNA)
where:
Base-Base interactions energy: -39.333
where: short stacking energy: -36.311
Base-Backbone interact. energy: 0.014
local terms energy: -54.115394
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -2.110
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: 432
Temperature: 1.300000
Total energy: -105.836084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.836084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.836084 (E_RNA)
where:
Base-Base interactions energy: -41.757
where: short stacking energy: -41.757
Base-Backbone interact. energy: -0.256
local terms energy: -63.822550
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -11.878
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: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -90.669905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.669905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.669905 (E_RNA)
where:
Base-Base interactions energy: -26.521
where: short stacking energy: -26.521
Base-Backbone interact. energy: -0.074
local terms energy: -64.075234
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -286.780810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.780810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.780810 (E_RNA)
where:
Base-Base interactions energy: -185.693
where: short stacking energy: -90.071
Base-Backbone interact. energy: -0.029
local terms energy: -101.058737
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -28.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -287.865044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.865044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.865044 (E_RNA)
where:
Base-Base interactions energy: -195.491
where: short stacking energy: -88.850
Base-Backbone interact. energy: 0.837
local terms energy: -93.211276
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -24.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -280.851600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.851600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.851600 (E_RNA)
where:
Base-Base interactions energy: -189.892
where: short stacking energy: -95.126
Base-Backbone interact. energy: -0.007
local terms energy: -90.951954
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -27.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -273.875604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.875604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.875604 (E_RNA)
where:
Base-Base interactions energy: -185.766
where: short stacking energy: -79.006
Base-Backbone interact. energy: 1.318
local terms energy: -89.426955
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -22.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -283.497355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.497355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.497355 (E_RNA)
where:
Base-Base interactions energy: -197.893
where: short stacking energy: -83.353
Base-Backbone interact. energy: -0.122
local terms energy: -85.482130
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -25.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -235.712567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.712567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.712567 (E_RNA)
where:
Base-Base interactions energy: -154.576
where: short stacking energy: -69.703
Base-Backbone interact. energy: -0.078
local terms energy: -81.059066
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -8.213
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -14.482
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: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -238.997474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.997474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.997474 (E_RNA)
where:
Base-Base interactions energy: -156.171
where: short stacking energy: -64.869
Base-Backbone interact. energy: -0.337
local terms energy: -82.489301
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -17.957
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: 433
Temperature: 1.250000
Total energy: -101.976314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.976314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.976314 (E_RNA)
where:
Base-Base interactions energy: -41.619
where: short stacking energy: -34.803
Base-Backbone interact. energy: 1.998
local terms energy: -62.355404
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -91.120289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.120289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.120289 (E_RNA)
where:
Base-Base interactions energy: -35.562
where: short stacking energy: -32.154
Base-Backbone interact. energy: -0.189
local terms energy: -55.369213
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: 3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -93.091181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.091181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.091181 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -34.217
Base-Backbone interact. energy: -0.053
local terms energy: -58.187910
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -287.844984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.844984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.844984 (E_RNA)
where:
Base-Base interactions energy: -198.691
where: short stacking energy: -88.148
Base-Backbone interact. energy: -0.151
local terms energy: -89.002618
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -22.728
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: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -289.952062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.952062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.952062 (E_RNA)
where:
Base-Base interactions energy: -192.771
where: short stacking energy: -85.926
Base-Backbone interact. energy: -0.453
local terms energy: -96.728517
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -24.972
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: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -276.970876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.970876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.970876 (E_RNA)
where:
Base-Base interactions energy: -183.977
where: short stacking energy: -84.097
Base-Backbone interact. energy: -0.023
local terms energy: -92.970771
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -27.910
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: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -255.257878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.257878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.257878 (E_RNA)
where:
Base-Base interactions energy: -168.906
where: short stacking energy: -75.556
Base-Backbone interact. energy: -0.578
local terms energy: -85.773410
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -9.955
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: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -278.104887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.104887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.104887 (E_RNA)
where:
Base-Base interactions energy: -183.842
where: short stacking energy: -91.083
Base-Backbone interact. energy: -0.012
local terms energy: -94.250328
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -28.301
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: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -232.415933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.415933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.415933 (E_RNA)
where:
Base-Base interactions energy: -147.206
where: short stacking energy: -71.032
Base-Backbone interact. energy: 0.395
local terms energy: -85.605099
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -15.276
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: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -252.852666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.852666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.852666 (E_RNA)
where:
Base-Base interactions energy: -174.491
where: short stacking energy: -75.100
Base-Backbone interact. energy: -0.154
local terms energy: -78.208337
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -103.984568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.984568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.984568 (E_RNA)
where:
Base-Base interactions energy: -46.859
where: short stacking energy: -43.657
Base-Backbone interact. energy: -0.715
local terms energy: -56.411112
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -11.071
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: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -85.836725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.836725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.836725 (E_RNA)
where:
Base-Base interactions energy: -33.342
where: short stacking energy: -33.342
Base-Backbone interact. energy: -0.061
local terms energy: -52.433701
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -2.756
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: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -95.070930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.070930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.070930 (E_RNA)
where:
Base-Base interactions energy: -39.824
where: short stacking energy: -29.904
Base-Backbone interact. energy: -0.360
local terms energy: -54.886826
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -0.927
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: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -295.924542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.924542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.924542 (E_RNA)
where:
Base-Base interactions energy: -203.126
where: short stacking energy: -86.007
Base-Backbone interact. energy: -0.019
local terms energy: -92.779558
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -25.362
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: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -288.323686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.323686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.323686 (E_RNA)
where:
Base-Base interactions energy: -192.995
where: short stacking energy: -88.998
Base-Backbone interact. energy: -0.228
local terms energy: -95.100820
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -25.444
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: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -256.270880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.270880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.270880 (E_RNA)
where:
Base-Base interactions energy: -171.510
where: short stacking energy: -83.046
Base-Backbone interact. energy: -0.023
local terms energy: -84.737690
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -22.799
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: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -276.236747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.236747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.236747 (E_RNA)
where:
Base-Base interactions energy: -175.423
where: short stacking energy: -85.105
Base-Backbone interact. energy: -0.006
local terms energy: -100.807640
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -28.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -259.056259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.056259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.056259 (E_RNA)
where:
Base-Base interactions energy: -186.729
where: short stacking energy: -74.198
Base-Backbone interact. energy: -0.383
local terms energy: -71.945049
where:
bonds (distance) C4'-P energy: -7.174
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -232.853611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.853611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.853611 (E_RNA)
where:
Base-Base interactions energy: -153.691
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.510
local terms energy: -78.652983
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -16.036
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: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -222.760995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.760995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.760995 (E_RNA)
where:
Base-Base interactions energy: -145.133
where: short stacking energy: -56.195
Base-Backbone interact. energy: 0.079
local terms energy: -77.706649
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -100.019628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.019628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.019628 (E_RNA)
where:
Base-Base interactions energy: -35.909
where: short stacking energy: -35.909
Base-Backbone interact. energy: -0.121
local terms energy: -63.989957
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -103.386982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.386982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.386982 (E_RNA)
where:
Base-Base interactions energy: -52.150
where: short stacking energy: -33.740
Base-Backbone interact. energy: 1.657
local terms energy: -52.893308
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -128.434690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.434690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.434690 (E_RNA)
where:
Base-Base interactions energy: -64.343
where: short stacking energy: -41.201
Base-Backbone interact. energy: -0.142
local terms energy: -63.949450
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -7.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -293.498555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.498555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.498555 (E_RNA)
where:
Base-Base interactions energy: -194.317
where: short stacking energy: -88.450
Base-Backbone interact. energy: -0.139
local terms energy: -99.042280
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -26.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -288.943531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.943531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.943531 (E_RNA)
where:
Base-Base interactions energy: -194.029
where: short stacking energy: -87.826
Base-Backbone interact. energy: -0.163
local terms energy: -94.751933
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -277.707946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.707946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.707946 (E_RNA)
where:
Base-Base interactions energy: -184.028
where: short stacking energy: -85.830
Base-Backbone interact. energy: -0.190
local terms energy: -93.489221
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -26.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -264.046970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.046970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.046970 (E_RNA)
where:
Base-Base interactions energy: -181.561
where: short stacking energy: -78.793
Base-Backbone interact. energy: -0.475
local terms energy: -82.011204
where:
bonds (distance) C4'-P energy: -8.755
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -252.569786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.569786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.569786 (E_RNA)
where:
Base-Base interactions energy: -168.425
where: short stacking energy: -68.919
Base-Backbone interact. energy: -0.575
local terms energy: -83.569933
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -256.481234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.481234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.481234 (E_RNA)
where:
Base-Base interactions energy: -175.971
where: short stacking energy: -73.279
Base-Backbone interact. energy: -0.080
local terms energy: -80.431093
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -228.609805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.609805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.609805 (E_RNA)
where:
Base-Base interactions energy: -151.085
where: short stacking energy: -68.667
Base-Backbone interact. energy: -0.407
local terms energy: -77.117398
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -10.536
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: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -98.934637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.934637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.934637 (E_RNA)
where:
Base-Base interactions energy: -41.015
where: short stacking energy: -32.751
Base-Backbone interact. energy: 2.241
local terms energy: -60.160613
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -97.443252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.443252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.443252 (E_RNA)
where:
Base-Base interactions energy: -35.708
where: short stacking energy: -35.708
Base-Backbone interact. energy: -0.119
local terms energy: -61.617159
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -93.971264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.971264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.971264 (E_RNA)
where:
Base-Base interactions energy: -39.484
where: short stacking energy: -29.275
Base-Backbone interact. energy: -0.063
local terms energy: -54.423862
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -302.698054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.698054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.698054 (E_RNA)
where:
Base-Base interactions energy: -204.539
where: short stacking energy: -87.083
Base-Backbone interact. energy: 0.569
local terms energy: -98.727919
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -26.882
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: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -281.600710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.600710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.600710 (E_RNA)
where:
Base-Base interactions energy: -191.308
where: short stacking energy: -87.661
Base-Backbone interact. energy: -0.004
local terms energy: -90.288856
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -24.646
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: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -280.328848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.328848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.328848 (E_RNA)
where:
Base-Base interactions energy: -185.624
where: short stacking energy: -77.811
Base-Backbone interact. energy: -0.082
local terms energy: -94.622287
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -25.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -278.966631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.966631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.966631 (E_RNA)
where:
Base-Base interactions energy: -189.551
where: short stacking energy: -82.096
Base-Backbone interact. energy: 0.612
local terms energy: -90.028137
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -15.011
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: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -231.892651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.892651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.892651 (E_RNA)
where:
Base-Base interactions energy: -146.462
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.023
local terms energy: -85.407790
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -261.752173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.752173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.752173 (E_RNA)
where:
Base-Base interactions energy: -182.504
where: short stacking energy: -74.646
Base-Backbone interact. energy: -0.108
local terms energy: -79.140272
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -23.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -255.446342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.446342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.446342 (E_RNA)
where:
Base-Base interactions energy: -170.440
where: short stacking energy: -67.915
Base-Backbone interact. energy: -0.236
local terms energy: -84.770589
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -114.334807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.334807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.334807 (E_RNA)
where:
Base-Base interactions energy: -53.357
where: short stacking energy: -34.264
Base-Backbone interact. energy: -0.045
local terms energy: -60.933277
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -94.860899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.860899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.860899 (E_RNA)
where:
Base-Base interactions energy: -27.747
where: short stacking energy: -24.331
Base-Backbone interact. energy: 1.368
local terms energy: -68.482226
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -5.713
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: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -82.258195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.258195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.258195 (E_RNA)
where:
Base-Base interactions energy: -28.892
where: short stacking energy: -18.780
Base-Backbone interact. energy: -1.513
local terms energy: -51.852537
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: 7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -291.629364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.629364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.629364 (E_RNA)
where:
Base-Base interactions energy: -193.524
where: short stacking energy: -85.611
Base-Backbone interact. energy: -0.002
local terms energy: -98.104012
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -28.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -289.895667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.895667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.895667 (E_RNA)
where:
Base-Base interactions energy: -195.974
where: short stacking energy: -78.916
Base-Backbone interact. energy: -0.001
local terms energy: -93.920049
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -24.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -291.720140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.720140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.720140 (E_RNA)
where:
Base-Base interactions energy: -195.562
where: short stacking energy: -82.546
Base-Backbone interact. energy: 0.874
local terms energy: -97.032579
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -27.758
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: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -278.737976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.737976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.737976 (E_RNA)
where:
Base-Base interactions energy: -185.873
where: short stacking energy: -87.169
Base-Backbone interact. energy: -0.042
local terms energy: -92.823186
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -28.435
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: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -267.204820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.204820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.204820 (E_RNA)
where:
Base-Base interactions energy: -182.934
where: short stacking energy: -78.658
Base-Backbone interact. energy: -0.024
local terms energy: -84.246739
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -29.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -246.726609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.726609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.726609 (E_RNA)
where:
Base-Base interactions energy: -154.451
where: short stacking energy: -73.089
Base-Backbone interact. energy: -0.155
local terms energy: -92.120102
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -24.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -229.028470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.028470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.028470 (E_RNA)
where:
Base-Base interactions energy: -148.760
where: short stacking energy: -72.903
Base-Backbone interact. energy: -0.019
local terms energy: -80.248670
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -18.819
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: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -99.427017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.427017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.427017 (E_RNA)
where:
Base-Base interactions energy: -36.584
where: short stacking energy: -36.584
Base-Backbone interact. energy: -0.998
local terms energy: -61.845075
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -93.769308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.769308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.769308 (E_RNA)
where:
Base-Base interactions energy: -36.542
where: short stacking energy: -19.311
Base-Backbone interact. energy: -0.229
local terms energy: -56.998284
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: 5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -100.687124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.687124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.687124 (E_RNA)
where:
Base-Base interactions energy: -51.905
where: short stacking energy: -36.232
Base-Backbone interact. energy: -0.076
local terms energy: -48.706212
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -0.831
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: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -292.837891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.837891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.837891 (E_RNA)
where:
Base-Base interactions energy: -197.808
where: short stacking energy: -86.384
Base-Backbone interact. energy: -0.309
local terms energy: -94.720909
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -14.511
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: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -286.990842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.990842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.990842 (E_RNA)
where:
Base-Base interactions energy: -194.176
where: short stacking energy: -85.526
Base-Backbone interact. energy: -0.006
local terms energy: -92.808284
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -28.359
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: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -300.487796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.487796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.487796 (E_RNA)
where:
Base-Base interactions energy: -204.931
where: short stacking energy: -84.962
Base-Backbone interact. energy: -0.101
local terms energy: -95.455270
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -11.185
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: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -272.111952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.111952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.111952 (E_RNA)
where:
Base-Base interactions energy: -186.780
where: short stacking energy: -77.691
Base-Backbone interact. energy: -0.133
local terms energy: -85.198655
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -265.313206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.313206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.313206 (E_RNA)
where:
Base-Base interactions energy: -177.438
where: short stacking energy: -83.972
Base-Backbone interact. energy: -0.020
local terms energy: -87.854555
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -27.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -232.919294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.919294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.919294 (E_RNA)
where:
Base-Base interactions energy: -160.166
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.252
local terms energy: -72.501284
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -234.290655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.290655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.290655 (E_RNA)
where:
Base-Base interactions energy: -160.141
where: short stacking energy: -65.126
Base-Backbone interact. energy: -0.050
local terms energy: -74.100171
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -8.871
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: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -177.393951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.393951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.393951 (E_RNA)
where:
Base-Base interactions energy: -121.469
where: short stacking energy: -56.345
Base-Backbone interact. energy: 3.818
local terms energy: -59.742370
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -8.507
flat angles P-C4'-P energy: -3.989
tors. eta vs tors. theta energy: -14.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -100.486792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.486792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.486792 (E_RNA)
where:
Base-Base interactions energy: -39.150
where: short stacking energy: -37.679
Base-Backbone interact. energy: -0.313
local terms energy: -61.023190
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -5.468
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: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -92.676789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.676789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.676789 (E_RNA)
where:
Base-Base interactions energy: -29.325
where: short stacking energy: -23.214
Base-Backbone interact. energy: 1.468
local terms energy: -64.819665
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -286.482792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.482792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.482792 (E_RNA)
where:
Base-Base interactions energy: -198.035
where: short stacking energy: -84.757
Base-Backbone interact. energy: -0.009
local terms energy: -88.438764
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -12.690
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: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -285.302150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.302150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.302150 (E_RNA)
where:
Base-Base interactions energy: -188.645
where: short stacking energy: -80.571
Base-Backbone interact. energy: -0.136
local terms energy: -96.521925
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -18.087
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: 3, replica: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -287.321200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.321200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.321200 (E_RNA)
where:
Base-Base interactions energy: -197.200
where: short stacking energy: -82.064
Base-Backbone interact. energy: -0.022
local terms energy: -90.098435
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -23.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -270.579294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.579294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.579294 (E_RNA)
where:
Base-Base interactions energy: -187.365
where: short stacking energy: -79.243
Base-Backbone interact. energy: -0.155
local terms energy: -83.059578
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -20.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -258.391084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.391084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.391084 (E_RNA)
where:
Base-Base interactions energy: -170.323
where: short stacking energy: -72.924
Base-Backbone interact. energy: -0.461
local terms energy: -87.607476
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -242.185487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.185487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.185487 (E_RNA)
where:
Base-Base interactions energy: -168.710
where: short stacking energy: -67.837
Base-Backbone interact. energy: -0.161
local terms energy: -73.315228
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -18.184
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: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -233.179768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.179768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.179768 (E_RNA)
where:
Base-Base interactions energy: -161.860
where: short stacking energy: -67.542
Base-Backbone interact. energy: 1.710
local terms energy: -73.029394
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -18.378
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: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -171.309289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.309289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.309289 (E_RNA)
where:
Base-Base interactions energy: -98.082
where: short stacking energy: -41.606
Base-Backbone interact. energy: -0.694
local terms energy: -72.533707
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -88.047480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.047480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.047480 (E_RNA)
where:
Base-Base interactions energy: -36.228
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.629
local terms energy: -51.190266
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: 3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -93.022502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.022502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.022502 (E_RNA)
where:
Base-Base interactions energy: -29.628
where: short stacking energy: -24.670
Base-Backbone interact. energy: -1.248
local terms energy: -62.146028
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -8.867
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: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -291.987701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.987701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.987701 (E_RNA)
where:
Base-Base interactions energy: -194.325
where: short stacking energy: -89.706
Base-Backbone interact. energy: -0.010
local terms energy: -97.652852
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -287.750295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.750295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.750295 (E_RNA)
where:
Base-Base interactions energy: -189.671
where: short stacking energy: -89.578
Base-Backbone interact. energy: -0.059
local terms energy: -98.020352
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -28.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -284.141419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.141419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.141419 (E_RNA)
where:
Base-Base interactions energy: -186.783
where: short stacking energy: -87.639
Base-Backbone interact. energy: -0.263
local terms energy: -97.095232
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -14.902
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: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -272.743506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.743506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.743506 (E_RNA)
where:
Base-Base interactions energy: -183.129
where: short stacking energy: -82.413
Base-Backbone interact. energy: -0.055
local terms energy: -89.559212
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -12.185
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: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -273.261136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.261136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.261136 (E_RNA)
where:
Base-Base interactions energy: -179.738
where: short stacking energy: -81.347
Base-Backbone interact. energy: -0.063
local terms energy: -93.459832
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -26.307
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: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -252.165948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.165948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.165948 (E_RNA)
where:
Base-Base interactions energy: -171.142
where: short stacking energy: -77.802
Base-Backbone interact. energy: 1.013
local terms energy: -82.036248
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -21.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -239.354168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.354168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.354168 (E_RNA)
where:
Base-Base interactions energy: -164.343
where: short stacking energy: -63.201
Base-Backbone interact. energy: 1.014
local terms energy: -76.025303
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -206.230870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.230870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.230870 (E_RNA)
where:
Base-Base interactions energy: -138.064
where: short stacking energy: -62.420
Base-Backbone interact. energy: -0.114
local terms energy: -68.053499
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -84.428080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.428080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.428080 (E_RNA)
where:
Base-Base interactions energy: -32.458
where: short stacking energy: -26.611
Base-Backbone interact. energy: -1.157
local terms energy: -50.813292
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: 4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -92.907343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.907343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.907343 (E_RNA)
where:
Base-Base interactions energy: -25.235
where: short stacking energy: -23.819
Base-Backbone interact. energy: -0.404
local terms energy: -67.268642
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -7.222
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -11.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -288.071963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.071963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.071963 (E_RNA)
where:
Base-Base interactions energy: -191.814
where: short stacking energy: -91.213
Base-Backbone interact. energy: -0.045
local terms energy: -96.212869
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -28.412
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: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -282.876886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.876886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.876886 (E_RNA)
where:
Base-Base interactions energy: -184.843
where: short stacking energy: -78.647
Base-Backbone interact. energy: -0.031
local terms energy: -98.002677
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -286.738731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.738731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.738731 (E_RNA)
where:
Base-Base interactions energy: -193.866
where: short stacking energy: -74.307
Base-Backbone interact. energy: -0.522
local terms energy: -92.350053
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -12.061
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: 4, replica: 9
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -268.450312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.450312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.450312 (E_RNA)
where:
Base-Base interactions energy: -169.586
where: short stacking energy: -74.771
Base-Backbone interact. energy: -0.034
local terms energy: -98.830125
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -271.154018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.154018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.154018 (E_RNA)
where:
Base-Base interactions energy: -177.997
where: short stacking energy: -87.649
Base-Backbone interact. energy: -0.001
local terms energy: -93.155858
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -26.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -242.819157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.819157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.819157 (E_RNA)
where:
Base-Base interactions energy: -166.403
where: short stacking energy: -67.315
Base-Backbone interact. energy: -0.163
local terms energy: -76.253763
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -232.887098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.887098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.887098 (E_RNA)
where:
Base-Base interactions energy: -155.746
where: short stacking energy: -77.180
Base-Backbone interact. energy: -0.102
local terms energy: -77.039393
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -12.056
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: 8, replica: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -227.532917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.532917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.532917 (E_RNA)
where:
Base-Base interactions energy: -146.317
where: short stacking energy: -61.641
Base-Backbone interact. energy: 0.239
local terms energy: -81.454798
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -96.427233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.427233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.427233 (E_RNA)
where:
Base-Base interactions energy: -43.502
where: short stacking energy: -36.724
Base-Backbone interact. energy: 0.363
local terms energy: -53.288545
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -85.673003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.673003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.673003 (E_RNA)
where:
Base-Base interactions energy: -20.737
where: short stacking energy: -20.737
Base-Backbone interact. energy: -0.121
local terms energy: -64.815379
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: 1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -295.770638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.770638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.770638 (E_RNA)
where:
Base-Base interactions energy: -196.529
where: short stacking energy: -91.984
Base-Backbone interact. energy: -0.438
local terms energy: -98.803320
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -28.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -298.472596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.472596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.472596 (E_RNA)
where:
Base-Base interactions energy: -208.611
where: short stacking energy: -85.758
Base-Backbone interact. energy: -0.101
local terms energy: -89.760188
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -23.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -285.493931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.493931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.493931 (E_RNA)
where:
Base-Base interactions energy: -191.171
where: short stacking energy: -82.734
Base-Backbone interact. energy: 0.802
local terms energy: -95.124877
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -25.091
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: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -276.969626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.969626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.969626 (E_RNA)
where:
Base-Base interactions energy: -189.608
where: short stacking energy: -78.045
Base-Backbone interact. energy: -0.125
local terms energy: -87.236404
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -23.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -248.421523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.421523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.421523 (E_RNA)
where:
Base-Base interactions energy: -165.003
where: short stacking energy: -68.810
Base-Backbone interact. energy: -1.409
local terms energy: -82.009711
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -12.899
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: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -238.474407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.474407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.474407 (E_RNA)
where:
Base-Base interactions energy: -164.680
where: short stacking energy: -65.832
Base-Backbone interact. energy: -0.228
local terms energy: -73.566350
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -13.706
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: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -237.107443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.107443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.107443 (E_RNA)
where:
Base-Base interactions energy: -154.251
where: short stacking energy: -66.391
Base-Backbone interact. energy: 0.121
local terms energy: -82.976983
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -225.745287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.745287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.745287 (E_RNA)
where:
Base-Base interactions energy: -140.980
where: short stacking energy: -64.455
Base-Backbone interact. energy: -1.118
local terms energy: -83.646852
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -104.023068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.023068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.023068 (E_RNA)
where:
Base-Base interactions energy: -45.792
where: short stacking energy: -37.027
Base-Backbone interact. energy: 3.129
local terms energy: -61.359817
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -87.987274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.987274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.987274 (E_RNA)
where:
Base-Base interactions energy: -24.278
where: short stacking energy: -23.660
Base-Backbone interact. energy: 0.236
local terms energy: -63.945024
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -300.962889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.962889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.962889 (E_RNA)
where:
Base-Base interactions energy: -203.711
where: short stacking energy: -84.254
Base-Backbone interact. energy: -0.168
local terms energy: -97.083724
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -26.100
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: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -279.784727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.784727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.784727 (E_RNA)
where:
Base-Base interactions energy: -184.704
where: short stacking energy: -86.679
Base-Backbone interact. energy: -0.002
local terms energy: -95.078546
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -285.454167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.454167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.454167 (E_RNA)
where:
Base-Base interactions energy: -187.851
where: short stacking energy: -91.545
Base-Backbone interact. energy: -0.001
local terms energy: -97.601679
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -28.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -271.013695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.013695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.013695 (E_RNA)
where:
Base-Base interactions energy: -184.078
where: short stacking energy: -73.861
Base-Backbone interact. energy: -0.182
local terms energy: -86.754035
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -247.099919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.099919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.099919 (E_RNA)
where:
Base-Base interactions energy: -164.181
where: short stacking energy: -69.416
Base-Backbone interact. energy: -0.265
local terms energy: -82.653655
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -244.933775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.933775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.933775 (E_RNA)
where:
Base-Base interactions energy: -156.033
where: short stacking energy: -62.750
Base-Backbone interact. energy: -0.779
local terms energy: -88.122230
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -11.094
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: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -229.395301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.395301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.395301 (E_RNA)
where:
Base-Base interactions energy: -147.164
where: short stacking energy: -66.739
Base-Backbone interact. energy: -0.200
local terms energy: -82.031761
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -17.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -233.266764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.266764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.266764 (E_RNA)
where:
Base-Base interactions energy: -154.318
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.026
local terms energy: -78.923105
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -83.468927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.468927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.468927 (E_RNA)
where:
Base-Base interactions energy: -26.944
where: short stacking energy: -26.714
Base-Backbone interact. energy: -0.032
local terms energy: -56.492805
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -3.210
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: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -86.134743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.134743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.134743 (E_RNA)
where:
Base-Base interactions energy: -23.977
where: short stacking energy: -22.784
Base-Backbone interact. energy: -0.412
local terms energy: -61.745089
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -11.122
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: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -302.775194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.775194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.775194 (E_RNA)
where:
Base-Base interactions energy: -205.908
where: short stacking energy: -80.397
Base-Backbone interact. energy: -0.087
local terms energy: -96.779917
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -25.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -292.020421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.020421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.020421 (E_RNA)
where:
Base-Base interactions energy: -200.267
where: short stacking energy: -89.660
Base-Backbone interact. energy: -0.046
local terms energy: -91.706678
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -25.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -271.914203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.914203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.914203 (E_RNA)
where:
Base-Base interactions energy: -176.810
where: short stacking energy: -84.035
Base-Backbone interact. energy: -0.094
local terms energy: -95.010880
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -14.930
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: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -265.151937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.151937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.151937 (E_RNA)
where:
Base-Base interactions energy: -173.474
where: short stacking energy: -75.457
Base-Backbone interact. energy: 0.134
local terms energy: -91.811728
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -265.188337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.188337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.188337 (E_RNA)
where:
Base-Base interactions energy: -174.133
where: short stacking energy: -79.733
Base-Backbone interact. energy: -0.092
local terms energy: -90.962594
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -24.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -234.434641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.434641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.434641 (E_RNA)
where:
Base-Base interactions energy: -154.816
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.668
local terms energy: -78.950731
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -14.686
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: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -237.560757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.560757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.560757 (E_RNA)
where:
Base-Base interactions energy: -158.001
where: short stacking energy: -68.168
Base-Backbone interact. energy: -0.049
local terms energy: -79.510805
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -8.522
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: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -224.926333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.926333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.926333 (E_RNA)
where:
Base-Base interactions energy: -151.185
where: short stacking energy: -60.838
Base-Backbone interact. energy: -0.142
local terms energy: -73.599020
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -114.898949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.898949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.898949 (E_RNA)
where:
Base-Base interactions energy: -41.277
where: short stacking energy: -38.986
Base-Backbone interact. energy: 1.039
local terms energy: -74.661636
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -90.966655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.966655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.966655 (E_RNA)
where:
Base-Base interactions energy: -35.490
where: short stacking energy: -35.155
Base-Backbone interact. energy: -0.513
local terms energy: -54.964016
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -9.920
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: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -297.769108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.769108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.769108 (E_RNA)
where:
Base-Base interactions energy: -197.605
where: short stacking energy: -82.111
Base-Backbone interact. energy: -0.101
local terms energy: -100.063518
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -24.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -285.226529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.226529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.226529 (E_RNA)
where:
Base-Base interactions energy: -186.091
where: short stacking energy: -82.970
Base-Backbone interact. energy: -0.044
local terms energy: -99.091455
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -26.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -269.061755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.061755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.061755 (E_RNA)
where:
Base-Base interactions energy: -183.620
where: short stacking energy: -78.724
Base-Backbone interact. energy: -0.324
local terms energy: -85.117418
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -24.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -273.779275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.779275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.779275 (E_RNA)
where:
Base-Base interactions energy: -179.879
where: short stacking energy: -78.924
Base-Backbone interact. energy: -0.090
local terms energy: -93.809868
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -23.726
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: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -256.974283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.974283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.974283 (E_RNA)
where:
Base-Base interactions energy: -169.453
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.133
local terms energy: -87.389199
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -24.054
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: 446
Temperature: 1.150000
Total energy: -259.262211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.262211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.262211 (E_RNA)
where:
Base-Base interactions energy: -175.474
where: short stacking energy: -77.649
Base-Backbone interact. energy: -0.074
local terms energy: -83.714729
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -21.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -246.587569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.587569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.587569 (E_RNA)
where:
Base-Base interactions energy: -163.630
where: short stacking energy: -70.910
Base-Backbone interact. energy: 2.184
local terms energy: -85.141645
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -26.539
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: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -218.428031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.428031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.428031 (E_RNA)
where:
Base-Base interactions energy: -143.973
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.106
local terms energy: -74.348836
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -11.168
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: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -95.521296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.521296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.521296 (E_RNA)
where:
Base-Base interactions energy: -39.357
where: short stacking energy: -27.431
Base-Backbone interact. energy: -0.204
local terms energy: -55.960327
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -89.337682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.337682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.337682 (E_RNA)
where:
Base-Base interactions energy: -31.132
where: short stacking energy: -29.881
Base-Backbone interact. energy: 0.278
local terms energy: -58.483460
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -304.952221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.952221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.952221 (E_RNA)
where:
Base-Base interactions energy: -206.457
where: short stacking energy: -89.425
Base-Backbone interact. energy: -0.020
local terms energy: -98.474779
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -26.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -274.470772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.470772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.470772 (E_RNA)
where:
Base-Base interactions energy: -182.221
where: short stacking energy: -86.155
Base-Backbone interact. energy: -0.002
local terms energy: -92.247265
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -15.492
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: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -277.593970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.593970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.593970 (E_RNA)
where:
Base-Base interactions energy: -192.920
where: short stacking energy: -88.893
Base-Backbone interact. energy: 0.158
local terms energy: -84.832026
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -270.094426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.094426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.094426 (E_RNA)
where:
Base-Base interactions energy: -179.306
where: short stacking energy: -70.385
Base-Backbone interact. energy: -0.097
local terms energy: -90.691287
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -272.040011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.040011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.040011 (E_RNA)
where:
Base-Base interactions energy: -181.204
where: short stacking energy: -74.345
Base-Backbone interact. energy: -0.163
local terms energy: -90.673450
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -246.189390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.189390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.189390 (E_RNA)
where:
Base-Base interactions energy: -157.656
where: short stacking energy: -71.943
Base-Backbone interact. energy: -0.209
local terms energy: -88.324238
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -13.838
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: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -260.757644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.757644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.757644 (E_RNA)
where:
Base-Base interactions energy: -167.705
where: short stacking energy: -76.670
Base-Backbone interact. energy: -0.004
local terms energy: -93.048594
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -15.114
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: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -219.983631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.983631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.983631 (E_RNA)
where:
Base-Base interactions energy: -145.027
where: short stacking energy: -65.090
Base-Backbone interact. energy: 0.516
local terms energy: -75.473521
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -108.048431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.048431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.048431 (E_RNA)
where:
Base-Base interactions energy: -43.233
where: short stacking energy: -32.142
Base-Backbone interact. energy: -0.206
local terms energy: -64.609680
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -7.525
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: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -84.786110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.786110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.786110 (E_RNA)
where:
Base-Base interactions energy: -26.622
where: short stacking energy: -23.557
Base-Backbone interact. energy: -1.100
local terms energy: -57.064835
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: 1.145
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: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -304.323552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.323552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.323552 (E_RNA)
where:
Base-Base interactions energy: -204.841
where: short stacking energy: -89.167
Base-Backbone interact. energy: -0.099
local terms energy: -99.383872
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -22.864
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -26.926
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: 448
Temperature: 0.950000
Total energy: -281.309225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.309225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.309225 (E_RNA)
where:
Base-Base interactions energy: -190.515
where: short stacking energy: -81.125
Base-Backbone interact. energy: -0.004
local terms energy: -90.790720
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -278.257385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.257385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.257385 (E_RNA)
where:
Base-Base interactions energy: -188.993
where: short stacking energy: -76.296
Base-Backbone interact. energy: -0.085
local terms energy: -89.179070
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -20.351
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: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -271.323615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.323615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.323615 (E_RNA)
where:
Base-Base interactions energy: -176.735
where: short stacking energy: -73.593
Base-Backbone interact. energy: -0.082
local terms energy: -94.506571
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -261.797110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.797110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.797110 (E_RNA)
where:
Base-Base interactions energy: -173.639
where: short stacking energy: -74.014
Base-Backbone interact. energy: -0.225
local terms energy: -87.933443
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -262.897537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.897537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.897537 (E_RNA)
where:
Base-Base interactions energy: -172.126
where: short stacking energy: -73.989
Base-Backbone interact. energy: -0.082
local terms energy: -90.688956
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -23.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -244.052670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.052670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.052670 (E_RNA)
where:
Base-Base interactions energy: -158.845
where: short stacking energy: -75.079
Base-Backbone interact. energy: 0.421
local terms energy: -85.628239
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -253.417899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.417899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.417899 (E_RNA)
where:
Base-Base interactions energy: -166.853
where: short stacking energy: -75.943
Base-Backbone interact. energy: -0.001
local terms energy: -86.563803
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -25.416
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: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -99.164053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.164053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.164053 (E_RNA)
where:
Base-Base interactions energy: -41.164
where: short stacking energy: -22.433
Base-Backbone interact. energy: -0.520
local terms energy: -57.479948
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -7.233
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: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -92.255177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.255177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.255177 (E_RNA)
where:
Base-Base interactions energy: -24.116
where: short stacking energy: -24.116
Base-Backbone interact. energy: -0.375
local terms energy: -67.764636
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -304.155008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.155008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.155008 (E_RNA)
where:
Base-Base interactions energy: -206.930
where: short stacking energy: -85.840
Base-Backbone interact. energy: -0.048
local terms energy: -97.177330
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -12.302
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: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -287.657132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.657132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.657132 (E_RNA)
where:
Base-Base interactions energy: -197.425
where: short stacking energy: -85.886
Base-Backbone interact. energy: -0.591
local terms energy: -89.640814
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -25.142
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: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -283.498960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.498960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.498960 (E_RNA)
where:
Base-Base interactions energy: -191.123
where: short stacking energy: -79.306
Base-Backbone interact. energy: -0.088
local terms energy: -92.287332
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -11.504
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: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -269.326532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.326532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.326532 (E_RNA)
where:
Base-Base interactions energy: -175.615
where: short stacking energy: -82.201
Base-Backbone interact. energy: -0.873
local terms energy: -92.838095
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -23.577
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: 5, replica: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -256.614037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.614037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.614037 (E_RNA)
where:
Base-Base interactions energy: -182.166
where: short stacking energy: -80.189
Base-Backbone interact. energy: -0.077
local terms energy: -74.371129
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -258.134455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.134455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.134455 (E_RNA)
where:
Base-Base interactions energy: -174.187
where: short stacking energy: -79.110
Base-Backbone interact. energy: -0.006
local terms energy: -83.941626
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -22.886
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: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -245.759861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.759861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.759861 (E_RNA)
where:
Base-Base interactions energy: -155.493
where: short stacking energy: -74.890
Base-Backbone interact. energy: -0.385
local terms energy: -89.881837
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -236.671950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.671950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.671950 (E_RNA)
where:
Base-Base interactions energy: -153.125
where: short stacking energy: -66.634
Base-Backbone interact. energy: -0.077
local terms energy: -83.469978
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -19.267
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: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -97.775953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.775953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.775953 (E_RNA)
where:
Base-Base interactions energy: -35.839
where: short stacking energy: -30.862
Base-Backbone interact. energy: -0.312
local terms energy: -61.625223
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -88.460570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.460570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.460570 (E_RNA)
where:
Base-Base interactions energy: -28.335
where: short stacking energy: -28.489
Base-Backbone interact. energy: -0.214
local terms energy: -59.911123
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -295.238836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.238836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.238836 (E_RNA)
where:
Base-Base interactions energy: -198.552
where: short stacking energy: -88.744
Base-Backbone interact. energy: -0.459
local terms energy: -96.228032
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -21.213
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -26.025
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: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -286.529660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.529660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.529660 (E_RNA)
where:
Base-Base interactions energy: -192.361
where: short stacking energy: -88.768
Base-Backbone interact. energy: -0.010
local terms energy: -94.159527
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -12.684
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: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -288.639555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.639555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.639555 (E_RNA)
where:
Base-Base interactions energy: -194.960
where: short stacking energy: -87.766
Base-Backbone interact. energy: -0.076
local terms energy: -93.604307
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -27.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -275.767763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.767763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.767763 (E_RNA)
where:
Base-Base interactions energy: -186.938
where: short stacking energy: -86.185
Base-Backbone interact. energy: -0.077
local terms energy: -88.753535
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -27.247
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: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -286.728395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.728395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.728395 (E_RNA)
where:
Base-Base interactions energy: -198.659
where: short stacking energy: -77.812
Base-Backbone interact. energy: -0.045
local terms energy: -88.023799
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -258.236422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.236422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.236422 (E_RNA)
where:
Base-Base interactions energy: -177.185
where: short stacking energy: -75.553
Base-Backbone interact. energy: 0.833
local terms energy: -81.884500
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -243.447952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.447952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.447952 (E_RNA)
where:
Base-Base interactions energy: -165.023
where: short stacking energy: -68.074
Base-Backbone interact. energy: -0.746
local terms energy: -77.678962
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -15.250
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: 450
Temperature: 1.250000
Total energy: -229.953588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.953588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.953588 (E_RNA)
where:
Base-Base interactions energy: -147.392
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.122
local terms energy: -82.439135
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -107.934528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.934528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.934528 (E_RNA)
where:
Base-Base interactions energy: -57.249
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.053
local terms energy: -50.632122
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -97.998592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.998592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.998592 (E_RNA)
where:
Base-Base interactions energy: -37.114
where: short stacking energy: -21.884
Base-Backbone interact. energy: -0.956
local terms energy: -59.928482
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -6.119
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: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -297.331904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.331904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.331904 (E_RNA)
where:
Base-Base interactions energy: -207.708
where: short stacking energy: -86.897
Base-Backbone interact. energy: -0.126
local terms energy: -89.497180
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -11.124
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: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -291.198313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.198313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.198313 (E_RNA)
where:
Base-Base interactions energy: -199.091
where: short stacking energy: -88.820
Base-Backbone interact. energy: -0.340
local terms energy: -91.767771
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -12.910
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: 451
Temperature: 1.000000
Total energy: -271.604530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.604530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.604530 (E_RNA)
where:
Base-Base interactions energy: -188.473
where: short stacking energy: -73.449
Base-Backbone interact. energy: -0.145
local terms energy: -82.987177
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -21.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -265.838047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.838047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.838047 (E_RNA)
where:
Base-Base interactions energy: -173.429
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.089
local terms energy: -92.319809
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -14.221
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: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -271.060939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.060939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.060939 (E_RNA)
where:
Base-Base interactions energy: -182.210
where: short stacking energy: -79.073
Base-Backbone interact. energy: -0.099
local terms energy: -88.751275
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -24.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -253.754818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.754818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.754818 (E_RNA)
where:
Base-Base interactions energy: -174.346
where: short stacking energy: -73.132
Base-Backbone interact. energy: -0.219
local terms energy: -79.189909
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -6.769
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: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -224.076663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.076663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.076663 (E_RNA)
where:
Base-Base interactions energy: -141.254
where: short stacking energy: -65.366
Base-Backbone interact. energy: -0.066
local terms energy: -82.756128
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -225.800479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.800479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.800479 (E_RNA)
where:
Base-Base interactions energy: -139.927
where: short stacking energy: -65.166
Base-Backbone interact. energy: -0.154
local terms energy: -85.719773
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -105.059857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.059857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.059857 (E_RNA)
where:
Base-Base interactions energy: -44.348
where: short stacking energy: -24.798
Base-Backbone interact. energy: 2.179
local terms energy: -62.890516
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -90.700605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.700605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.700605 (E_RNA)
where:
Base-Base interactions energy: -27.255
where: short stacking energy: -26.496
Base-Backbone interact. energy: -0.052
local terms energy: -63.393134
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -295.050128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.050128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.050128 (E_RNA)
where:
Base-Base interactions energy: -195.942
where: short stacking energy: -89.456
Base-Backbone interact. energy: -0.714
local terms energy: -98.393590
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -25.239
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: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -284.748290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.748290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.748290 (E_RNA)
where:
Base-Base interactions energy: -198.505
where: short stacking energy: -79.706
Base-Backbone interact. energy: -0.069
local terms energy: -86.174371
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -269.564933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.564933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.564933 (E_RNA)
where:
Base-Base interactions energy: -181.404
where: short stacking energy: -79.695
Base-Backbone interact. energy: -0.047
local terms energy: -88.113790
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -15.176
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: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -252.952476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.952476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.952476 (E_RNA)
where:
Base-Base interactions energy: -176.385
where: short stacking energy: -84.953
Base-Backbone interact. energy: -1.065
local terms energy: -75.502404
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -236.852309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.852309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.852309 (E_RNA)
where:
Base-Base interactions energy: -161.669
where: short stacking energy: -70.006
Base-Backbone interact. energy: 0.129
local terms energy: -75.312911
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -254.168963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.168963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.168963 (E_RNA)
where:
Base-Base interactions energy: -163.058
where: short stacking energy: -80.895
Base-Backbone interact. energy: -0.070
local terms energy: -91.041035
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -24.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -233.066613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.066613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.066613 (E_RNA)
where:
Base-Base interactions energy: -154.470
where: short stacking energy: -58.278
Base-Backbone interact. energy: 2.514
local terms energy: -81.109854
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -232.387985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.387985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.387985 (E_RNA)
where:
Base-Base interactions energy: -154.017
where: short stacking energy: -68.670
Base-Backbone interact. energy: -0.162
local terms energy: -78.209310
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -11.371
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: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -95.441291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.441291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.441291 (E_RNA)
where:
Base-Base interactions energy: -40.603
where: short stacking energy: -38.283
Base-Backbone interact. energy: -0.566
local terms energy: -54.272441
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -89.068798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.068798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.068798 (E_RNA)
where:
Base-Base interactions energy: -30.760
where: short stacking energy: -30.633
Base-Backbone interact. energy: 0.041
local terms energy: -58.349925
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -5.976
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: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -299.966673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.966673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.966673 (E_RNA)
where:
Base-Base interactions energy: -199.755
where: short stacking energy: -85.066
Base-Backbone interact. energy: -0.929
local terms energy: -99.283273
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -24.772
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: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -290.921591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.921591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.921591 (E_RNA)
where:
Base-Base interactions energy: -190.006
where: short stacking energy: -93.011
Base-Backbone interact. energy: -0.154
local terms energy: -100.760875
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -28.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -288.997738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.997738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.997738 (E_RNA)
where:
Base-Base interactions energy: -192.256
where: short stacking energy: -92.467
Base-Backbone interact. energy: -0.063
local terms energy: -96.678711
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -28.442
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: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -264.402164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.402164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.402164 (E_RNA)
where:
Base-Base interactions energy: -177.545
where: short stacking energy: -76.592
Base-Backbone interact. energy: -0.069
local terms energy: -86.788377
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -11.839
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: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -262.006857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.006857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.006857 (E_RNA)
where:
Base-Base interactions energy: -170.929
where: short stacking energy: -75.839
Base-Backbone interact. energy: -0.349
local terms energy: -90.728276
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -27.652
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: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -240.173306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.173306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.173306 (E_RNA)
where:
Base-Base interactions energy: -154.464
where: short stacking energy: -69.247
Base-Backbone interact. energy: -0.310
local terms energy: -85.399695
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -228.049545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.049545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.049545 (E_RNA)
where:
Base-Base interactions energy: -164.571
where: short stacking energy: -57.050
Base-Backbone interact. energy: -0.219
local terms energy: -63.259538
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -13.315
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: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -222.983863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.983863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.983863 (E_RNA)
where:
Base-Base interactions energy: -143.480
where: short stacking energy: -61.714
Base-Backbone interact. energy: -0.117
local terms energy: -79.387431
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -109.422431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.422431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.422431 (E_RNA)
where:
Base-Base interactions energy: -43.725
where: short stacking energy: -30.597
Base-Backbone interact. energy: 0.410
local terms energy: -66.107384
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -12.296
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: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -84.015817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.015817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.015817 (E_RNA)
where:
Base-Base interactions energy: -33.392
where: short stacking energy: -22.123
Base-Backbone interact. energy: 2.859
local terms energy: -53.482236
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -297.752493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.752493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.752493 (E_RNA)
where:
Base-Base interactions energy: -196.643
where: short stacking energy: -90.426
Base-Backbone interact. energy: -0.377
local terms energy: -100.733051
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -291.095156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.095156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.095156 (E_RNA)
where:
Base-Base interactions energy: -192.891
where: short stacking energy: -86.189
Base-Backbone interact. energy: -0.002
local terms energy: -98.201867
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -26.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -271.129697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.129697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.129697 (E_RNA)
where:
Base-Base interactions energy: -187.036
where: short stacking energy: -65.637
Base-Backbone interact. energy: -0.083
local terms energy: -84.009996
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -275.218833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.218833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.218833 (E_RNA)
where:
Base-Base interactions energy: -177.789
where: short stacking energy: -79.175
Base-Backbone interact. energy: -1.633
local terms energy: -95.797395
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -263.248263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.248263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.248263 (E_RNA)
where:
Base-Base interactions energy: -180.729
where: short stacking energy: -76.743
Base-Backbone interact. energy: -0.006
local terms energy: -82.513339
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -233.158006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.158006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.158006 (E_RNA)
where:
Base-Base interactions energy: -154.006
where: short stacking energy: -65.644
Base-Backbone interact. energy: -0.434
local terms energy: -78.718119
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -240.338621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.338621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.338621 (E_RNA)
where:
Base-Base interactions energy: -173.303
where: short stacking energy: -78.926
Base-Backbone interact. energy: -0.051
local terms energy: -66.984705
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -25.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -210.134733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.134733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.134733 (E_RNA)
where:
Base-Base interactions energy: -132.336
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.621
local terms energy: -77.177192
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -13.538
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: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -86.620312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.620312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.620312 (E_RNA)
where:
Base-Base interactions energy: -25.651
where: short stacking energy: -25.291
Base-Backbone interact. energy: 1.366
local terms energy: -62.335301
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -5.533
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -84.661894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.661894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.661894 (E_RNA)
where:
Base-Base interactions energy: -26.087
where: short stacking energy: -15.510
Base-Backbone interact. energy: -0.258
local terms energy: -58.317090
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -9.934
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: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -292.255433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.255433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.255433 (E_RNA)
where:
Base-Base interactions energy: -199.731
where: short stacking energy: -89.916
Base-Backbone interact. energy: -0.019
local terms energy: -92.505769
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -23.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -289.888889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.888889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.888889 (E_RNA)
where:
Base-Base interactions energy: -202.335
where: short stacking energy: -86.814
Base-Backbone interact. energy: -0.065
local terms energy: -87.489447
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -11.567
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: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -288.934365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.934365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.934365 (E_RNA)
where:
Base-Base interactions energy: -194.773
where: short stacking energy: -82.026
Base-Backbone interact. energy: -0.012
local terms energy: -94.149222
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -27.553
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: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -257.505285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.505285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.505285 (E_RNA)
where:
Base-Base interactions energy: -165.053
where: short stacking energy: -67.535
Base-Backbone interact. energy: -0.253
local terms energy: -92.199285
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -20.726
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: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -267.123923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.123923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.123923 (E_RNA)
where:
Base-Base interactions energy: -184.995
where: short stacking energy: -74.855
Base-Backbone interact. energy: -0.208
local terms energy: -81.921080
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -266.620110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.620110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.620110 (E_RNA)
where:
Base-Base interactions energy: -175.467
where: short stacking energy: -72.129
Base-Backbone interact. energy: 0.190
local terms energy: -91.342483
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -20.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -244.112677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.112677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.112677 (E_RNA)
where:
Base-Base interactions energy: -157.946
where: short stacking energy: -77.068
Base-Backbone interact. energy: -0.003
local terms energy: -86.163729
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -242.104341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.104341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.104341 (E_RNA)
where:
Base-Base interactions energy: -165.380
where: short stacking energy: -64.948
Base-Backbone interact. energy: -0.035
local terms energy: -76.688918
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -103.919119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.919119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.919119 (E_RNA)
where:
Base-Base interactions energy: -39.609
where: short stacking energy: -32.304
Base-Backbone interact. energy: -0.221
local terms energy: -64.088476
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -86.668324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.668324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.668324 (E_RNA)
where:
Base-Base interactions energy: -26.146
where: short stacking energy: -23.863
Base-Backbone interact. energy: -0.200
local terms energy: -60.322082
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -297.302205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.302205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.302205 (E_RNA)
where:
Base-Base interactions energy: -201.868
where: short stacking energy: -75.902
Base-Backbone interact. energy: -0.005
local terms energy: -95.429596
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -24.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -290.786920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.786920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.786920 (E_RNA)
where:
Base-Base interactions energy: -196.337
where: short stacking energy: -88.581
Base-Backbone interact. energy: 2.516
local terms energy: -96.966397
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -272.674761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.674761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.674761 (E_RNA)
where:
Base-Base interactions energy: -180.971
where: short stacking energy: -87.278
Base-Backbone interact. energy: -0.024
local terms energy: -91.678967
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -26.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -256.546915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.546915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.546915 (E_RNA)
where:
Base-Base interactions energy: -176.661
where: short stacking energy: -71.501
Base-Backbone interact. energy: 0.261
local terms energy: -80.146797
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -16.749
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: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -268.274766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.274766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.274766 (E_RNA)
where:
Base-Base interactions energy: -177.290
where: short stacking energy: -76.193
Base-Backbone interact. energy: -0.079
local terms energy: -90.905500
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -265.127119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.127119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.127119 (E_RNA)
where:
Base-Base interactions energy: -181.135
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.722
local terms energy: -83.270448
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -14.991
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: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -250.531535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.531535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.531535 (E_RNA)
where:
Base-Base interactions energy: -174.042
where: short stacking energy: -74.247
Base-Backbone interact. energy: -0.214
local terms energy: -76.275286
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -15.394
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: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -212.082530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.082530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.082530 (E_RNA)
where:
Base-Base interactions energy: -137.331
where: short stacking energy: -59.845
Base-Backbone interact. energy: 0.197
local terms energy: -74.948914
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -86.579711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.579711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.579711 (E_RNA)
where:
Base-Base interactions energy: -36.959
where: short stacking energy: -33.477
Base-Backbone interact. energy: -0.230
local terms energy: -49.390640
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -95.495502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.495502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.495502 (E_RNA)
where:
Base-Base interactions energy: -30.999
where: short stacking energy: -30.999
Base-Backbone interact. energy: -0.245
local terms energy: -64.251621
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -5.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -293.377006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.377006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.377006 (E_RNA)
where:
Base-Base interactions energy: -204.452
where: short stacking energy: -86.463
Base-Backbone interact. energy: -0.014
local terms energy: -88.911563
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -288.564154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.564154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.564154 (E_RNA)
where:
Base-Base interactions energy: -194.352
where: short stacking energy: -83.133
Base-Backbone interact. energy: -0.017
local terms energy: -94.194450
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -25.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -283.128491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.128491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.128491 (E_RNA)
where:
Base-Base interactions energy: -196.162
where: short stacking energy: -81.096
Base-Backbone interact. energy: -0.606
local terms energy: -86.359959
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -23.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -285.938174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.938174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.938174 (E_RNA)
where:
Base-Base interactions energy: -194.459
where: short stacking energy: -80.294
Base-Backbone interact. energy: 1.028
local terms energy: -92.506753
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -25.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -243.701497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.701497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.701497 (E_RNA)
where:
Base-Base interactions energy: -162.274
where: short stacking energy: -70.288
Base-Backbone interact. energy: 0.266
local terms energy: -81.693514
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -260.986487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.986487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.986487 (E_RNA)
where:
Base-Base interactions energy: -171.965
where: short stacking energy: -73.307
Base-Backbone interact. energy: -0.088
local terms energy: -88.933608
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -25.999
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: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -243.274648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.274648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.274648 (E_RNA)
where:
Base-Base interactions energy: -162.368
where: short stacking energy: -71.978
Base-Backbone interact. energy: -0.236
local terms energy: -80.670533
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -100.442675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.442675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.442675 (E_RNA)
where:
Base-Base interactions energy: -40.443
where: short stacking energy: -37.351
Base-Backbone interact. energy: -0.164
local terms energy: -59.836429
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -8.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -219.352260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.352260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.352260 (E_RNA)
where:
Base-Base interactions energy: -139.565
where: short stacking energy: -58.919
Base-Backbone interact. energy: -0.017
local terms energy: -79.770056
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -14.125
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: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -83.250951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.250951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.250951 (E_RNA)
where:
Base-Base interactions energy: -25.125
where: short stacking energy: -23.422
Base-Backbone interact. energy: 0.659
local terms energy: -58.784452
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: 4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -291.335687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.335687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.335687 (E_RNA)
where:
Base-Base interactions energy: -195.299
where: short stacking energy: -81.558
Base-Backbone interact. energy: -0.676
local terms energy: -95.361059
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -27.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -295.168209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.168209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.168209 (E_RNA)
where:
Base-Base interactions energy: -202.513
where: short stacking energy: -77.817
Base-Backbone interact. energy: -0.050
local terms energy: -92.604973
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -285.838579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.838579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.838579 (E_RNA)
where:
Base-Base interactions energy: -197.714
where: short stacking energy: -83.684
Base-Backbone interact. energy: -0.149
local terms energy: -87.975475
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -26.775
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: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -281.449595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.449595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.449595 (E_RNA)
where:
Base-Base interactions energy: -191.016
where: short stacking energy: -75.454
Base-Backbone interact. energy: -0.096
local terms energy: -90.337602
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -22.908
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: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -233.278415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.278415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.278415 (E_RNA)
where:
Base-Base interactions energy: -153.454
where: short stacking energy: -66.577
Base-Backbone interact. energy: -0.013
local terms energy: -79.811258
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -235.770631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.770631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.770631 (E_RNA)
where:
Base-Base interactions energy: -159.135
where: short stacking energy: -65.414
Base-Backbone interact. energy: -0.052
local terms energy: -76.583583
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -16.400
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: 7, replica: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -232.203614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.203614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.203614 (E_RNA)
where:
Base-Base interactions energy: -153.520
where: short stacking energy: -65.748
Base-Backbone interact. energy: -0.104
local terms energy: -78.579464
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -15.763
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: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -101.132698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.132698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.132698 (E_RNA)
where:
Base-Base interactions energy: -38.920
where: short stacking energy: -36.630
Base-Backbone interact. energy: 3.579
local terms energy: -65.791966
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -215.170807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.170807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.170807 (E_RNA)
where:
Base-Base interactions energy: -139.704
where: short stacking energy: -63.293
Base-Backbone interact. energy: 0.244
local terms energy: -75.710657
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -18.046
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: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -87.966020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.966020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.966020 (E_RNA)
where:
Base-Base interactions energy: -37.944
where: short stacking energy: -37.944
Base-Backbone interact. energy: -0.123
local terms energy: -49.898746
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -3.749
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -306.820096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.820096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.820096 (E_RNA)
where:
Base-Base interactions energy: -209.934
where: short stacking energy: -85.227
Base-Backbone interact. energy: -0.084
local terms energy: -96.802671
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -19.419
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -27.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -294.126559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.126559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.126559 (E_RNA)
where:
Base-Base interactions energy: -200.440
where: short stacking energy: -89.283
Base-Backbone interact. energy: -0.065
local terms energy: -93.621623
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -26.539
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: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -282.328820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.328820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.328820 (E_RNA)
where:
Base-Base interactions energy: -183.402
where: short stacking energy: -79.710
Base-Backbone interact. energy: -0.662
local terms energy: -98.264765
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -259.286258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.286258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.286258 (E_RNA)
where:
Base-Base interactions energy: -170.930
where: short stacking energy: -78.896
Base-Backbone interact. energy: -0.422
local terms energy: -87.934687
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -274.531795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.531795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.531795 (E_RNA)
where:
Base-Base interactions energy: -186.009
where: short stacking energy: -77.783
Base-Backbone interact. energy: -0.769
local terms energy: -87.754016
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -24.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -236.058708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.058708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.058708 (E_RNA)
where:
Base-Base interactions energy: -149.552
where: short stacking energy: -64.564
Base-Backbone interact. energy: -0.405
local terms energy: -86.101303
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -223.589484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.589484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.589484 (E_RNA)
where:
Base-Base interactions energy: -147.915
where: short stacking energy: -63.075
Base-Backbone interact. energy: -0.164
local terms energy: -75.510861
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -245.270866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.270866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.270866 (E_RNA)
where:
Base-Base interactions energy: -159.712
where: short stacking energy: -77.567
Base-Backbone interact. energy: -0.020
local terms energy: -85.538772
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -15.075
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: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -93.706299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.706299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.706299 (E_RNA)
where:
Base-Base interactions energy: -41.054
where: short stacking energy: -25.086
Base-Backbone interact. energy: -1.186
local terms energy: -51.466259
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -7.408
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: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -84.756370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.756370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.756370 (E_RNA)
where:
Base-Base interactions energy: -23.827
where: short stacking energy: -22.501
Base-Backbone interact. energy: 0.243
local terms energy: -61.172213
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -302.339634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.339634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.339634 (E_RNA)
where:
Base-Base interactions energy: -205.327
where: short stacking energy: -85.095
Base-Backbone interact. energy: -0.037
local terms energy: -96.975663
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -28.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -284.830092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.830092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.830092 (E_RNA)
where:
Base-Base interactions energy: -200.467
where: short stacking energy: -84.013
Base-Backbone interact. energy: -0.012
local terms energy: -84.351169
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -293.591835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.591835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.591835 (E_RNA)
where:
Base-Base interactions energy: -196.182
where: short stacking energy: -82.556
Base-Backbone interact. energy: -0.107
local terms energy: -97.302411
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -26.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -243.783771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.783771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.783771 (E_RNA)
where:
Base-Base interactions energy: -166.717
where: short stacking energy: -69.306
Base-Backbone interact. energy: -0.463
local terms energy: -76.604200
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -269.725598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.725598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.725598 (E_RNA)
where:
Base-Base interactions energy: -185.310
where: short stacking energy: -76.384
Base-Backbone interact. energy: -0.080
local terms energy: -84.335571
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -247.925619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.925619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.925619 (E_RNA)
where:
Base-Base interactions energy: -156.663
where: short stacking energy: -73.603
Base-Backbone interact. energy: -0.777
local terms energy: -90.485123
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -14.191
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: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -244.855642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.855642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.855642 (E_RNA)
where:
Base-Base interactions energy: -164.316
where: short stacking energy: -63.834
Base-Backbone interact. energy: -0.132
local terms energy: -80.408005
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -256.790851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.790851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.790851 (E_RNA)
where:
Base-Base interactions energy: -179.851
where: short stacking energy: -69.604
Base-Backbone interact. energy: -0.158
local terms energy: -76.781469
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -89.223854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.223854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.223854 (E_RNA)
where:
Base-Base interactions energy: -26.835
where: short stacking energy: -26.835
Base-Backbone interact. energy: -0.197
local terms energy: -62.192012
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -105.746391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.746391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.746391 (E_RNA)
where:
Base-Base interactions energy: -51.979
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.259
local terms energy: -53.508873
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -318.732441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.732441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.732441 (E_RNA)
where:
Base-Base interactions energy: -218.039
where: short stacking energy: -92.500
Base-Backbone interact. energy: -0.191
local terms energy: -100.501938
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -17.599
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -15.880
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: 2, replica: 1
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -295.769910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.769910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.769910 (E_RNA)
where:
Base-Base interactions energy: -203.335
where: short stacking energy: -86.315
Base-Backbone interact. energy: -0.286
local terms energy: -92.149516
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -11.895
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: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -293.676623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.676623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.676623 (E_RNA)
where:
Base-Base interactions energy: -198.783
where: short stacking energy: -81.676
Base-Backbone interact. energy: -0.069
local terms energy: -94.824099
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -26.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -279.121352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.121352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.121352 (E_RNA)
where:
Base-Base interactions energy: -187.761
where: short stacking energy: -77.704
Base-Backbone interact. energy: -0.035
local terms energy: -91.324814
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -14.992
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: 5, replica: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -247.274298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.274298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.274298 (E_RNA)
where:
Base-Base interactions energy: -158.910
where: short stacking energy: -78.524
Base-Backbone interact. energy: -0.155
local terms energy: -88.209225
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -14.719
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: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -236.304296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.304296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.304296 (E_RNA)
where:
Base-Base interactions energy: -151.603
where: short stacking energy: -71.570
Base-Backbone interact. energy: -0.001
local terms energy: -84.699822
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -21.752
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: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -234.949274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.949274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.949274 (E_RNA)
where:
Base-Base interactions energy: -161.347
where: short stacking energy: -66.750
Base-Backbone interact. energy: -0.200
local terms energy: -73.402602
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -10.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -210.395738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.395738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.395738 (E_RNA)
where:
Base-Base interactions energy: -132.530
where: short stacking energy: -57.448
Base-Backbone interact. energy: -0.180
local terms energy: -77.685717
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -101.423284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.423284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.423284 (E_RNA)
where:
Base-Base interactions energy: -39.586
where: short stacking energy: -21.941
Base-Backbone interact. energy: -0.063
local terms energy: -61.773761
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: 0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -91.969416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.969416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.969416 (E_RNA)
where:
Base-Base interactions energy: -35.571
where: short stacking energy: -32.249
Base-Backbone interact. energy: -0.162
local terms energy: -56.236334
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -10.067
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: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -297.894461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.894461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.894461 (E_RNA)
where:
Base-Base interactions energy: -199.707
where: short stacking energy: -82.536
Base-Backbone interact. energy: -0.100
local terms energy: -98.087817
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -26.566
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: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -294.973824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.973824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.973824 (E_RNA)
where:
Base-Base interactions energy: -204.408
where: short stacking energy: -89.486
Base-Backbone interact. energy: -0.103
local terms energy: -90.463320
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -21.758
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -27.307
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: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -281.103149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.103149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.103149 (E_RNA)
where:
Base-Base interactions energy: -193.418
where: short stacking energy: -83.343
Base-Backbone interact. energy: -0.111
local terms energy: -87.574144
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -26.666
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: 4, replica: 10
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -283.552530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.552530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.552530 (E_RNA)
where:
Base-Base interactions energy: -188.641
where: short stacking energy: -87.669
Base-Backbone interact. energy: -0.067
local terms energy: -94.844763
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -27.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -254.399185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.399185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.399185 (E_RNA)
where:
Base-Base interactions energy: -174.224
where: short stacking energy: -75.867
Base-Backbone interact. energy: -0.043
local terms energy: -80.132160
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -19.364
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: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -230.034893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.034893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.034893 (E_RNA)
where:
Base-Base interactions energy: -151.878
where: short stacking energy: -67.357
Base-Backbone interact. energy: -0.037
local terms energy: -78.119947
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -220.494265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.494265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.494265 (E_RNA)
where:
Base-Base interactions energy: -142.459
where: short stacking energy: -61.871
Base-Backbone interact. energy: -1.461
local terms energy: -76.574898
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -231.204824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.204824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.204824 (E_RNA)
where:
Base-Base interactions energy: -160.177
where: short stacking energy: -66.748
Base-Backbone interact. energy: 1.740
local terms energy: -72.767908
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -101.178698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.178698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.178698 (E_RNA)
where:
Base-Base interactions energy: -35.155
where: short stacking energy: -30.109
Base-Backbone interact. energy: 1.704
local terms energy: -67.727781
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -4.887
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: 4
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -90.522674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.522674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.522674 (E_RNA)
where:
Base-Base interactions energy: -48.640
where: short stacking energy: -27.654
Base-Backbone interact. energy: 0.716
local terms energy: -42.598797
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: 0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -290.787139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.787139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.787139 (E_RNA)
where:
Base-Base interactions energy: -199.038
where: short stacking energy: -86.014
Base-Backbone interact. energy: -0.005
local terms energy: -91.743923
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -25.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -290.247779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.247779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.247779 (E_RNA)
where:
Base-Base interactions energy: -199.759
where: short stacking energy: -78.219
Base-Backbone interact. energy: -0.108
local terms energy: -90.381505
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -12.547
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: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -272.953436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.953436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.953436 (E_RNA)
where:
Base-Base interactions energy: -187.159
where: short stacking energy: -78.519
Base-Backbone interact. energy: 0.047
local terms energy: -85.841782
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -268.358480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.358480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.358480 (E_RNA)
where:
Base-Base interactions energy: -181.108
where: short stacking energy: -83.312
Base-Backbone interact. energy: -0.159
local terms energy: -87.091399
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -16.039
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: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -263.328823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.328823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.328823 (E_RNA)
where:
Base-Base interactions energy: -176.378
where: short stacking energy: -76.063
Base-Backbone interact. energy: 0.466
local terms energy: -87.417099
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -238.654370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.654370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.654370 (E_RNA)
where:
Base-Base interactions energy: -153.954
where: short stacking energy: -67.691
Base-Backbone interact. energy: -0.009
local terms energy: -84.691024
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -22.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -233.638733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.638733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.638733 (E_RNA)
where:
Base-Base interactions energy: -148.297
where: short stacking energy: -66.793
Base-Backbone interact. energy: -0.628
local terms energy: -84.714418
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -208.307711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.307711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.307711 (E_RNA)
where:
Base-Base interactions energy: -139.500
where: short stacking energy: -64.292
Base-Backbone interact. energy: 1.436
local terms energy: -70.243792
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -11.147
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: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -137.610083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.610083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.610083 (E_RNA)
where:
Base-Base interactions energy: -87.553
where: short stacking energy: -42.361
Base-Backbone interact. energy: -0.151
local terms energy: -49.906081
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -4.395
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: 4
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -102.479080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.479080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.479080 (E_RNA)
where:
Base-Base interactions energy: -43.140
where: short stacking energy: -36.208
Base-Backbone interact. energy: 0.252
local terms energy: -59.591293
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -10.253
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -306.254436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.254436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.254436 (E_RNA)
where:
Base-Base interactions energy: -210.983
where: short stacking energy: -91.774
Base-Backbone interact. energy: -0.093
local terms energy: -95.178509
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -25.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -292.695236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.695236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.695236 (E_RNA)
where:
Base-Base interactions energy: -199.524
where: short stacking energy: -90.126
Base-Backbone interact. energy: -0.020
local terms energy: -93.151357
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -16.237
tors. eta vs tors. theta energy: -24.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -267.094370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.094370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.094370 (E_RNA)
where:
Base-Base interactions energy: -183.282
where: short stacking energy: -75.302
Base-Backbone interact. energy: -0.105
local terms energy: -83.706957
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -261.189873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.189873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.189873 (E_RNA)
where:
Base-Base interactions energy: -176.438
where: short stacking energy: -77.807
Base-Backbone interact. energy: 0.506
local terms energy: -85.257527
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -9.569
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: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -267.303910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.303910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.303910 (E_RNA)
where:
Base-Base interactions energy: -183.366
where: short stacking energy: -87.766
Base-Backbone interact. energy: -0.292
local terms energy: -83.646044
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -26.136
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: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -259.710705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.710705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.710705 (E_RNA)
where:
Base-Base interactions energy: -177.095
where: short stacking energy: -81.416
Base-Backbone interact. energy: -0.005
local terms energy: -82.610532
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -17.032
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: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -232.357363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.357363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.357363 (E_RNA)
where:
Base-Base interactions energy: -151.729
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.112
local terms energy: -80.517198
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -17.347
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: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -234.881786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.881786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.881786 (E_RNA)
where:
Base-Base interactions energy: -164.424
where: short stacking energy: -62.738
Base-Backbone interact. energy: -0.276
local terms energy: -70.181812
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -12.862
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: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -143.359899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.359899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.359899 (E_RNA)
where:
Base-Base interactions energy: -76.292
where: short stacking energy: -28.260
Base-Backbone interact. energy: -0.198
local terms energy: -66.869203
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -11.522
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: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -107.433076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.433076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.433076 (E_RNA)
where:
Base-Base interactions energy: -48.952
where: short stacking energy: -44.762
Base-Backbone interact. energy: 1.361
local terms energy: -59.841717
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -300.343253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.343253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.343253 (E_RNA)
where:
Base-Base interactions energy: -203.628
where: short stacking energy: -82.189
Base-Backbone interact. energy: -0.088
local terms energy: -96.627459
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -25.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -280.414763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.414763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.414763 (E_RNA)
where:
Base-Base interactions energy: -182.890
where: short stacking energy: -83.269
Base-Backbone interact. energy: -0.005
local terms energy: -97.519327
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -13.168
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: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -283.157074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.157074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.157074 (E_RNA)
where:
Base-Base interactions energy: -202.167
where: short stacking energy: -87.975
Base-Backbone interact. energy: -0.179
local terms energy: -80.811415
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -26.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -283.030696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.030696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.030696 (E_RNA)
where:
Base-Base interactions energy: -197.146
where: short stacking energy: -80.010
Base-Backbone interact. energy: -0.017
local terms energy: -85.867579
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -21.833
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: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -234.662253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.662253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.662253 (E_RNA)
where:
Base-Base interactions energy: -155.063
where: short stacking energy: -71.475
Base-Backbone interact. energy: -0.113
local terms energy: -79.485985
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -267.273802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.273802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.273802 (E_RNA)
where:
Base-Base interactions energy: -172.605
where: short stacking energy: -79.130
Base-Backbone interact. energy: -0.001
local terms energy: -94.667544
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -23.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -244.637057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.637057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.637057 (E_RNA)
where:
Base-Base interactions energy: -154.012
where: short stacking energy: -75.486
Base-Backbone interact. energy: -1.408
local terms energy: -89.216106
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -222.491247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.491247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.491247 (E_RNA)
where:
Base-Base interactions energy: -143.402
where: short stacking energy: -62.450
Base-Backbone interact. energy: 0.334
local terms energy: -79.423442
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -15.991
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: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -184.514495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.514495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.514495 (E_RNA)
where:
Base-Base interactions energy: -113.552
where: short stacking energy: -52.666
Base-Backbone interact. energy: -0.119
local terms energy: -70.843421
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -11.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -89.427019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.427019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.427019 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -29.002
Base-Backbone interact. energy: -0.085
local terms energy: -58.993276
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -295.458317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.458317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.458317 (E_RNA)
where:
Base-Base interactions energy: -206.593
where: short stacking energy: -81.850
Base-Backbone interact. energy: -0.037
local terms energy: -88.829071
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -23.683
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: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -276.515123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.515123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.515123 (E_RNA)
where:
Base-Base interactions energy: -188.876
where: short stacking energy: -86.060
Base-Backbone interact. energy: -0.061
local terms energy: -87.578288
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -26.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -293.418223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.418223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.418223 (E_RNA)
where:
Base-Base interactions energy: -200.941
where: short stacking energy: -81.425
Base-Backbone interact. energy: -0.224
local terms energy: -92.253380
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -26.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -289.107632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.107632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.107632 (E_RNA)
where:
Base-Base interactions energy: -193.259
where: short stacking energy: -83.154
Base-Backbone interact. energy: -0.033
local terms energy: -95.815396
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -22.821
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: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -266.525777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.525777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.525777 (E_RNA)
where:
Base-Base interactions energy: -182.877
where: short stacking energy: -78.181
Base-Backbone interact. energy: -0.027
local terms energy: -83.621212
where:
bonds (distance) C4'-P energy: -9.095
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -24.832
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: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -257.730015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.730015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.730015 (E_RNA)
where:
Base-Base interactions energy: -174.428
where: short stacking energy: -77.883
Base-Backbone interact. energy: -0.023
local terms energy: -83.278990
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -248.913974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.913974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.913974 (E_RNA)
where:
Base-Base interactions energy: -171.406
where: short stacking energy: -73.673
Base-Backbone interact. energy: -0.019
local terms energy: -77.489184
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -21.022
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: 466
Temperature: 1.250000
Total energy: -247.301720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.301720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.301720 (E_RNA)
where:
Base-Base interactions energy: -155.877
where: short stacking energy: -62.486
Base-Backbone interact. energy: -0.074
local terms energy: -91.350935
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -102.694783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.694783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.694783 (E_RNA)
where:
Base-Base interactions energy: -39.257
where: short stacking energy: -38.815
Base-Backbone interact. energy: -0.141
local terms energy: -63.296191
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -7.220
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: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -87.428203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.428203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.428203 (E_RNA)
where:
Base-Base interactions energy: -33.281
where: short stacking energy: -32.249
Base-Backbone interact. energy: 0.668
local terms energy: -54.815312
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -301.227420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.227420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.227420 (E_RNA)
where:
Base-Base interactions energy: -203.967
where: short stacking energy: -82.141
Base-Backbone interact. energy: -0.044
local terms energy: -97.215945
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -24.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -290.770691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.770691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.770691 (E_RNA)
where:
Base-Base interactions energy: -197.467
where: short stacking energy: -79.571
Base-Backbone interact. energy: -0.064
local terms energy: -93.239557
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -26.957
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: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -283.092930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.092930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.092930 (E_RNA)
where:
Base-Base interactions energy: -190.249
where: short stacking energy: -73.894
Base-Backbone interact. energy: -0.012
local terms energy: -92.832559
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -280.968055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.968055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.968055 (E_RNA)
where:
Base-Base interactions energy: -189.814
where: short stacking energy: -79.495
Base-Backbone interact. energy: -0.406
local terms energy: -90.747176
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -23.683
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: 467
Temperature: 1.100000
Total energy: -274.052333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.052333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.052333 (E_RNA)
where:
Base-Base interactions energy: -178.707
where: short stacking energy: -85.152
Base-Backbone interact. energy: -0.039
local terms energy: -95.306377
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -26.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -240.136042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.136042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.136042 (E_RNA)
where:
Base-Base interactions energy: -169.685
where: short stacking energy: -72.055
Base-Backbone interact. energy: -0.633
local terms energy: -69.817388
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -263.250829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.250829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.250829 (E_RNA)
where:
Base-Base interactions energy: -184.237
where: short stacking energy: -73.807
Base-Backbone interact. energy: -0.123
local terms energy: -78.890561
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -249.794828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.794828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.794828 (E_RNA)
where:
Base-Base interactions energy: -169.258
where: short stacking energy: -72.529
Base-Backbone interact. energy: -0.032
local terms energy: -80.504203
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -23.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -90.720142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.720142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.720142 (E_RNA)
where:
Base-Base interactions energy: -33.343
where: short stacking energy: -27.267
Base-Backbone interact. energy: 0.337
local terms energy: -57.713382
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -96.995582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.995582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.995582 (E_RNA)
where:
Base-Base interactions energy: -47.673
where: short stacking energy: -25.861
Base-Backbone interact. energy: -0.274
local terms energy: -49.048045
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -6.389
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: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -301.993762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.993762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.993762 (E_RNA)
where:
Base-Base interactions energy: -202.604
where: short stacking energy: -84.456
Base-Backbone interact. energy: -0.165
local terms energy: -99.224096
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -25.311
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: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -283.326887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.326887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.326887 (E_RNA)
where:
Base-Base interactions energy: -191.489
where: short stacking energy: -91.315
Base-Backbone interact. energy: -0.009
local terms energy: -91.829547
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -21.809
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -285.733500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.733500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.733500 (E_RNA)
where:
Base-Base interactions energy: -193.307
where: short stacking energy: -86.115
Base-Backbone interact. energy: -0.696
local terms energy: -91.730164
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -27.838
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: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -284.661573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.661573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.661573 (E_RNA)
where:
Base-Base interactions energy: -186.844
where: short stacking energy: -84.935
Base-Backbone interact. energy: -0.194
local terms energy: -97.623616
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -17.707
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -269.880784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.880784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.880784 (E_RNA)
where:
Base-Base interactions energy: -181.240
where: short stacking energy: -82.343
Base-Backbone interact. energy: -0.015
local terms energy: -88.625784
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -10.353
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: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -242.576403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.576403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.576403 (E_RNA)
where:
Base-Base interactions energy: -154.061
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.655
local terms energy: -87.861177
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -12.755
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: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -228.338658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.338658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.338658 (E_RNA)
where:
Base-Base interactions energy: -154.876
where: short stacking energy: -65.128
Base-Backbone interact. energy: -0.249
local terms energy: -73.213515
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -225.221455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.221455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.221455 (E_RNA)
where:
Base-Base interactions energy: -150.957
where: short stacking energy: -64.303
Base-Backbone interact. energy: -0.081
local terms energy: -74.183721
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -22.978
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: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -106.208757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.208757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.208757 (E_RNA)
where:
Base-Base interactions energy: -40.333
where: short stacking energy: -40.333
Base-Backbone interact. energy: 0.571
local terms energy: -66.446430
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -87.985252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.985252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.985252 (E_RNA)
where:
Base-Base interactions energy: -17.217
where: short stacking energy: -17.288
Base-Backbone interact. energy: -2.603
local terms energy: -68.164774
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -0.730
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: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -300.573727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.573727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.573727 (E_RNA)
where:
Base-Base interactions energy: -200.758
where: short stacking energy: -86.127
Base-Backbone interact. energy: -0.648
local terms energy: -99.167860
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -24.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -285.111882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.111882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.111882 (E_RNA)
where:
Base-Base interactions energy: -190.403
where: short stacking energy: -81.374
Base-Backbone interact. energy: -0.872
local terms energy: -93.837401
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -292.093468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.093468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.093468 (E_RNA)
where:
Base-Base interactions energy: -198.332
where: short stacking energy: -88.001
Base-Backbone interact. energy: -0.486
local terms energy: -93.275634
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -24.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -288.227036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.227036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.227036 (E_RNA)
where:
Base-Base interactions energy: -197.774
where: short stacking energy: -78.975
Base-Backbone interact. energy: -0.077
local terms energy: -90.376299
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -13.105
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: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -249.170447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.170447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.170447 (E_RNA)
where:
Base-Base interactions energy: -161.121
where: short stacking energy: -70.553
Base-Backbone interact. energy: -0.978
local terms energy: -87.070996
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -248.734518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.734518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.734518 (E_RNA)
where:
Base-Base interactions energy: -163.784
where: short stacking energy: -64.727
Base-Backbone interact. energy: -0.532
local terms energy: -84.418567
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -22.695
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: 469
Temperature: 1.200000
Total energy: -242.494686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.494686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.494686 (E_RNA)
where:
Base-Base interactions energy: -169.352
where: short stacking energy: -77.847
Base-Backbone interact. energy: -0.369
local terms energy: -72.773809
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -225.872083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.872083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.872083 (E_RNA)
where:
Base-Base interactions energy: -148.516
where: short stacking energy: -61.520
Base-Backbone interact. energy: -0.085
local terms energy: -77.270816
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -9.707
flat angles P-C4'-P energy: -9.538
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: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -94.560396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.560396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.560396 (E_RNA)
where:
Base-Base interactions energy: -28.323
where: short stacking energy: -28.323
Base-Backbone interact. energy: -0.139
local terms energy: -66.098110
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -12.230
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: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -92.292450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.292450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.292450 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -29.981
Base-Backbone interact. energy: -0.125
local terms energy: -62.186352
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -9.426
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -300.048809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.048809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.048809 (E_RNA)
where:
Base-Base interactions energy: -203.092
where: short stacking energy: -86.659
Base-Backbone interact. energy: -0.012
local terms energy: -96.944192
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -25.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -293.417052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.417052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.417052 (E_RNA)
where:
Base-Base interactions energy: -203.827
where: short stacking energy: -84.456
Base-Backbone interact. energy: -0.099
local terms energy: -89.490875
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -11.046
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: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -281.809375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.809375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.809375 (E_RNA)
where:
Base-Base interactions energy: -183.518
where: short stacking energy: -90.119
Base-Backbone interact. energy: -0.086
local terms energy: -98.204620
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -19.578
flat angles P-C4'-P energy: -13.976
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: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -259.602048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.602048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.602048 (E_RNA)
where:
Base-Base interactions energy: -179.849
where: short stacking energy: -77.347
Base-Backbone interact. energy: -0.220
local terms energy: -79.532987
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -247.267873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.267873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.267873 (E_RNA)
where:
Base-Base interactions energy: -166.733
where: short stacking energy: -69.624
Base-Backbone interact. energy: -0.205
local terms energy: -80.329470
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -22.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -242.861858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.861858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.861858 (E_RNA)
where:
Base-Base interactions energy: -158.871
where: short stacking energy: -71.246
Base-Backbone interact. energy: -0.584
local terms energy: -83.406183
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -269.147986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.147986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.147986 (E_RNA)
where:
Base-Base interactions energy: -175.726
where: short stacking energy: -79.537
Base-Backbone interact. energy: -0.673
local terms energy: -92.749668
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -13.674
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: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -226.692691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.692691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.692691 (E_RNA)
where:
Base-Base interactions energy: -160.555
where: short stacking energy: -70.666
Base-Backbone interact. energy: -0.132
local terms energy: -66.005560
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -95.907673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.907673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.907673 (E_RNA)
where:
Base-Base interactions energy: -38.041
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.939
local terms energy: -56.928084
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -6.319
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: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -92.499495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.499495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.499495 (E_RNA)
where:
Base-Base interactions energy: -51.298
where: short stacking energy: -26.586
Base-Backbone interact. energy: -0.402
local terms energy: -40.799560
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: 4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -295.262897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.262897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.262897 (E_RNA)
where:
Base-Base interactions energy: -199.755
where: short stacking energy: -88.455
Base-Backbone interact. energy: -0.010
local terms energy: -95.497494
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -26.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -289.473135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.473135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.473135 (E_RNA)
where:
Base-Base interactions energy: -200.552
where: short stacking energy: -86.286
Base-Backbone interact. energy: -0.393
local terms energy: -88.527504
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -262.547309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.547309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.547309 (E_RNA)
where:
Base-Base interactions energy: -172.899
where: short stacking energy: -79.156
Base-Backbone interact. energy: -0.011
local terms energy: -89.637280
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -25.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -277.302237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.302237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.302237 (E_RNA)
where:
Base-Base interactions energy: -185.792
where: short stacking energy: -82.872
Base-Backbone interact. energy: -0.111
local terms energy: -91.398745
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -25.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -258.669662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.669662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.669662 (E_RNA)
where:
Base-Base interactions energy: -176.617
where: short stacking energy: -72.473
Base-Backbone interact. energy: -0.121
local terms energy: -81.931592
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -272.950689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.950689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.950689 (E_RNA)
where:
Base-Base interactions energy: -189.065
where: short stacking energy: -87.162
Base-Backbone interact. energy: 1.595
local terms energy: -85.480548
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -15.728
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: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -222.701347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.701347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.701347 (E_RNA)
where:
Base-Base interactions energy: -142.969
where: short stacking energy: -69.406
Base-Backbone interact. energy: -0.059
local terms energy: -79.673044
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -18.629
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: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -224.912525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.912525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.912525 (E_RNA)
where:
Base-Base interactions energy: -145.507
where: short stacking energy: -61.974
Base-Backbone interact. energy: -0.683
local terms energy: -78.722828
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -88.319594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.319594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.319594 (E_RNA)
where:
Base-Base interactions energy: -42.078
where: short stacking energy: -26.069
Base-Backbone interact. energy: -0.235
local terms energy: -46.006192
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -1.900
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -84.577498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.577498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.577498 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -34.082
Base-Backbone interact. energy: -0.093
local terms energy: -48.961817
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -1.009
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: 472
Temperature: 0.900000
Total energy: -302.573455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.573455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.573455 (E_RNA)
where:
Base-Base interactions energy: -203.779
where: short stacking energy: -88.726
Base-Backbone interact. energy: -0.025
local terms energy: -98.770137
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -26.982
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: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -294.686147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.686147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.686147 (E_RNA)
where:
Base-Base interactions energy: -206.462
where: short stacking energy: -88.770
Base-Backbone interact. energy: 0.038
local terms energy: -88.262405
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -12.144
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: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -295.548613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.548613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.548613 (E_RNA)
where:
Base-Base interactions energy: -206.341
where: short stacking energy: -85.275
Base-Backbone interact. energy: -0.036
local terms energy: -89.171532
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -257.095666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.095666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.095666 (E_RNA)
where:
Base-Base interactions energy: -177.139
where: short stacking energy: -73.928
Base-Backbone interact. energy: 2.897
local terms energy: -82.853281
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -17.400
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: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -274.708424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.708424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.708424 (E_RNA)
where:
Base-Base interactions energy: -185.906
where: short stacking energy: -81.237
Base-Backbone interact. energy: -0.492
local terms energy: -88.309936
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -23.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -246.097710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.097710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.097710 (E_RNA)
where:
Base-Base interactions energy: -157.760
where: short stacking energy: -70.877
Base-Backbone interact. energy: -0.165
local terms energy: -88.172360
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -20.675
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -17.226
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: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -212.241042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.241042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.241042 (E_RNA)
where:
Base-Base interactions energy: -133.918
where: short stacking energy: -50.354
Base-Backbone interact. energy: -0.211
local terms energy: -78.112059
where:
bonds (distance) C4'-P energy: -21.160
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -221.968064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.968064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.968064 (E_RNA)
where:
Base-Base interactions energy: -143.738
where: short stacking energy: -60.601
Base-Backbone interact. energy: 0.577
local terms energy: -78.806533
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -98.678036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.678036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.678036 (E_RNA)
where:
Base-Base interactions energy: -35.001
where: short stacking energy: -19.789
Base-Backbone interact. energy: 0.595
local terms energy: -64.271415
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -86.589609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.589609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.589609 (E_RNA)
where:
Base-Base interactions energy: -29.765
where: short stacking energy: -16.110
Base-Backbone interact. energy: -0.160
local terms energy: -56.664482
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: 2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -300.765672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.765672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.765672 (E_RNA)
where:
Base-Base interactions energy: -201.832
where: short stacking energy: -87.617
Base-Backbone interact. energy: -0.089
local terms energy: -98.844560
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -28.120
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: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -293.097972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.097972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.097972 (E_RNA)
where:
Base-Base interactions energy: -197.769
where: short stacking energy: -86.434
Base-Backbone interact. energy: -0.054
local terms energy: -95.275304
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -280.013586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.013586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.013586 (E_RNA)
where:
Base-Base interactions energy: -191.489
where: short stacking energy: -82.351
Base-Backbone interact. energy: 1.138
local terms energy: -89.662432
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -280.728107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.728107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.728107 (E_RNA)
where:
Base-Base interactions energy: -198.952
where: short stacking energy: -83.668
Base-Backbone interact. energy: -0.307
local terms energy: -81.468599
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -250.723483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.723483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.723483 (E_RNA)
where:
Base-Base interactions energy: -169.125
where: short stacking energy: -76.488
Base-Backbone interact. energy: -0.078
local terms energy: -81.520610
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -11.693
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: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -259.762452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.762452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.762452 (E_RNA)
where:
Base-Base interactions energy: -173.242
where: short stacking energy: -78.125
Base-Backbone interact. energy: -0.702
local terms energy: -85.817788
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -238.484673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.484673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.484673 (E_RNA)
where:
Base-Base interactions energy: -147.509
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.024
local terms energy: -90.951370
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -224.920166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.920166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.920166 (E_RNA)
where:
Base-Base interactions energy: -148.355
where: short stacking energy: -69.813
Base-Backbone interact. energy: -0.095
local terms energy: -76.470165
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -86.604955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.604955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.604955 (E_RNA)
where:
Base-Base interactions energy: -37.252
where: short stacking energy: -34.474
Base-Backbone interact. energy: -1.010
local terms energy: -48.343290
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -0.468
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: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -103.518334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.518334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.518334 (E_RNA)
where:
Base-Base interactions energy: -59.212
where: short stacking energy: -28.571
Base-Backbone interact. energy: -0.583
local terms energy: -43.723409
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -3.191
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -300.419930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.419930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.419930 (E_RNA)
where:
Base-Base interactions energy: -204.139
where: short stacking energy: -85.448
Base-Backbone interact. energy: -0.163
local terms energy: -96.117777
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -16.932
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: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -291.420946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.420946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.420946 (E_RNA)
where:
Base-Base interactions energy: -196.669
where: short stacking energy: -92.918
Base-Backbone interact. energy: -0.001
local terms energy: -94.751608
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -27.041
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: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -284.868694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.868694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.868694 (E_RNA)
where:
Base-Base interactions energy: -193.079
where: short stacking energy: -82.649
Base-Backbone interact. energy: 0.659
local terms energy: -92.448943
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -14.757
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: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -266.023985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.023985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.023985 (E_RNA)
where:
Base-Base interactions energy: -184.954
where: short stacking energy: -80.979
Base-Backbone interact. energy: -0.808
local terms energy: -80.261705
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -7.138
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -25.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -246.083813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.083813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.083813 (E_RNA)
where:
Base-Base interactions energy: -161.679
where: short stacking energy: -68.785
Base-Backbone interact. energy: 0.377
local terms energy: -84.781579
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -241.908896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.908896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.908896 (E_RNA)
where:
Base-Base interactions energy: -171.404
where: short stacking energy: -71.908
Base-Backbone interact. energy: -0.120
local terms energy: -70.384277
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -261.496212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.496212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.496212 (E_RNA)
where:
Base-Base interactions energy: -175.203
where: short stacking energy: -75.871
Base-Backbone interact. energy: -0.252
local terms energy: -86.041681
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -10.838
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: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -237.114790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.114790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.114790 (E_RNA)
where:
Base-Base interactions energy: -159.212
where: short stacking energy: -67.012
Base-Backbone interact. energy: -0.173
local terms energy: -77.729476
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -11.801
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: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -98.785289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.785289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.785289 (E_RNA)
where:
Base-Base interactions energy: -39.515
where: short stacking energy: -36.808
Base-Backbone interact. energy: -0.162
local terms energy: -59.108747
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -5.257
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: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -94.906265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.906265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.906265 (E_RNA)
where:
Base-Base interactions energy: -49.569
where: short stacking energy: -17.895
Base-Backbone interact. energy: -0.493
local terms energy: -44.845159
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -6.666
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -2.813
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: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -297.161655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.161655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.161655 (E_RNA)
where:
Base-Base interactions energy: -205.486
where: short stacking energy: -85.724
Base-Backbone interact. energy: -0.003
local terms energy: -91.672674
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -23.355
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: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -282.759138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.759138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.759138 (E_RNA)
where:
Base-Base interactions energy: -198.236
where: short stacking energy: -91.132
Base-Backbone interact. energy: -0.018
local terms energy: -84.504843
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -16.968
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: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -283.047048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.047048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.047048 (E_RNA)
where:
Base-Base interactions energy: -198.914
where: short stacking energy: -77.124
Base-Backbone interact. energy: 0.440
local terms energy: -84.573405
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -21.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -267.215189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.215189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.215189 (E_RNA)
where:
Base-Base interactions energy: -173.572
where: short stacking energy: -83.220
Base-Backbone interact. energy: 0.252
local terms energy: -93.895366
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -13.769
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: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -258.052223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.052223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.052223 (E_RNA)
where:
Base-Base interactions energy: -162.720
where: short stacking energy: -76.758
Base-Backbone interact. energy: -0.075
local terms energy: -95.256872
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -25.025
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: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -269.656224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.656224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.656224 (E_RNA)
where:
Base-Base interactions energy: -182.041
where: short stacking energy: -83.578
Base-Backbone interact. energy: -0.015
local terms energy: -87.600300
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -12.075
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: 7, replica: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -234.617230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.617230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.617230 (E_RNA)
where:
Base-Base interactions energy: -149.203
where: short stacking energy: -67.095
Base-Backbone interact. energy: -0.003
local terms energy: -85.411235
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -19.062
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: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -223.240667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.240667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.240667 (E_RNA)
where:
Base-Base interactions energy: -142.044
where: short stacking energy: -61.982
Base-Backbone interact. energy: -0.256
local terms energy: -80.941469
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -92.682543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.682543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.682543 (E_RNA)
where:
Base-Base interactions energy: -38.344
where: short stacking energy: -23.991
Base-Backbone interact. energy: -0.499
local terms energy: -53.839510
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -10.240
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: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -101.061772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.061772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.061772 (E_RNA)
where:
Base-Base interactions energy: -38.126
where: short stacking energy: -24.558
Base-Backbone interact. energy: -0.514
local terms energy: -62.422347
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -12.990
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: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -304.869899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.869899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.869899 (E_RNA)
where:
Base-Base interactions energy: -211.765
where: short stacking energy: -88.554
Base-Backbone interact. energy: -0.101
local terms energy: -93.004162
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -11.885
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: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -278.689659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.689659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.689659 (E_RNA)
where:
Base-Base interactions energy: -190.293
where: short stacking energy: -78.220
Base-Backbone interact. energy: -0.077
local terms energy: -88.319473
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -15.550
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: 3, replica: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -282.279264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.279264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.279264 (E_RNA)
where:
Base-Base interactions energy: -193.668
where: short stacking energy: -77.659
Base-Backbone interact. energy: -0.816
local terms energy: -87.794708
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -21.643
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: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -272.418349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.418349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.418349 (E_RNA)
where:
Base-Base interactions energy: -184.062
where: short stacking energy: -80.453
Base-Backbone interact. energy: -0.062
local terms energy: -88.294745
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -11.635
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: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -281.595922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.595922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.595922 (E_RNA)
where:
Base-Base interactions energy: -192.586
where: short stacking energy: -91.230
Base-Backbone interact. energy: -0.094
local terms energy: -88.915615
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -25.285
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: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -264.206958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.206958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.206958 (E_RNA)
where:
Base-Base interactions energy: -180.606
where: short stacking energy: -79.367
Base-Backbone interact. energy: -0.045
local terms energy: -83.555687
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -10.181
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: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -225.621745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.621745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.621745 (E_RNA)
where:
Base-Base interactions energy: -141.753
where: short stacking energy: -59.100
Base-Backbone interact. energy: -0.119
local terms energy: -83.749163
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -225.803495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.803495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.803495 (E_RNA)
where:
Base-Base interactions energy: -148.285
where: short stacking energy: -61.599
Base-Backbone interact. energy: 0.475
local terms energy: -77.994246
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -96.705795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.705795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.705795 (E_RNA)
where:
Base-Base interactions energy: -35.848
where: short stacking energy: -27.528
Base-Backbone interact. energy: -0.128
local terms energy: -60.729418
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -1.185
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: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -96.886923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.886923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.886923 (E_RNA)
where:
Base-Base interactions energy: -38.354
where: short stacking energy: -24.675
Base-Backbone interact. energy: -0.317
local terms energy: -58.216675
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: 0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -302.961679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.961679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.961679 (E_RNA)
where:
Base-Base interactions energy: -204.949
where: short stacking energy: -81.739
Base-Backbone interact. energy: -0.038
local terms energy: -97.974798
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -25.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -286.551774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.551774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.551774 (E_RNA)
where:
Base-Base interactions energy: -196.007
where: short stacking energy: -81.242
Base-Backbone interact. energy: 0.253
local terms energy: -90.797370
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -284.311930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.311930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.311930 (E_RNA)
where:
Base-Base interactions energy: -182.954
where: short stacking energy: -87.790
Base-Backbone interact. energy: -0.004
local terms energy: -101.353522
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -29.068
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: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -280.898632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.898632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.898632 (E_RNA)
where:
Base-Base interactions energy: -185.813
where: short stacking energy: -74.428
Base-Backbone interact. energy: -1.556
local terms energy: -93.529805
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -272.892429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.892429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.892429 (E_RNA)
where:
Base-Base interactions energy: -187.496
where: short stacking energy: -81.623
Base-Backbone interact. energy: -0.104
local terms energy: -85.292332
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -23.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -250.417280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.417280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.417280 (E_RNA)
where:
Base-Base interactions energy: -169.315
where: short stacking energy: -69.946
Base-Backbone interact. energy: -0.168
local terms energy: -80.934589
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -221.157625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.157625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.157625 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -58.173
Base-Backbone interact. energy: -0.646
local terms energy: -81.534311
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -17.189
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: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -234.606717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.606717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.606717 (E_RNA)
where:
Base-Base interactions energy: -154.453
where: short stacking energy: -67.056
Base-Backbone interact. energy: -0.068
local terms energy: -80.084985
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -109.213851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.213851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.213851 (E_RNA)
where:
Base-Base interactions energy: -38.380
where: short stacking energy: -30.806
Base-Backbone interact. energy: -0.457
local terms energy: -70.376278
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -12.306
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: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -85.005979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.005979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.005979 (E_RNA)
where:
Base-Base interactions energy: -30.893
where: short stacking energy: -25.944
Base-Backbone interact. energy: 1.171
local terms energy: -55.283891
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -1.193
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: 10
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -283.957567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.957567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.957567 (E_RNA)
where:
Base-Base interactions energy: -184.993
where: short stacking energy: -85.551
Base-Backbone interact. energy: -0.400
local terms energy: -98.565203
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -17.444
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: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -286.178510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.178510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.178510 (E_RNA)
where:
Base-Base interactions energy: -187.556
where: short stacking energy: -88.580
Base-Backbone interact. energy: -0.024
local terms energy: -98.598534
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -29.160
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: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -281.788837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.788837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.788837 (E_RNA)
where:
Base-Base interactions energy: -190.979
where: short stacking energy: -94.899
Base-Backbone interact. energy: -0.014
local terms energy: -90.795284
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -29.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -275.670642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.670642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.670642 (E_RNA)
where:
Base-Base interactions energy: -186.376
where: short stacking energy: -85.910
Base-Backbone interact. energy: -0.684
local terms energy: -88.610975
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -15.256
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: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -272.927089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.927089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.927089 (E_RNA)
where:
Base-Base interactions energy: -174.967
where: short stacking energy: -82.969
Base-Backbone interact. energy: -0.062
local terms energy: -97.898039
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -27.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -243.562034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.562034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.562034 (E_RNA)
where:
Base-Base interactions energy: -165.337
where: short stacking energy: -73.396
Base-Backbone interact. energy: -0.083
local terms energy: -78.142529
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -239.531333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.531333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.531333 (E_RNA)
where:
Base-Base interactions energy: -164.979
where: short stacking energy: -73.787
Base-Backbone interact. energy: -0.014
local terms energy: -74.538084
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -18.176
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: 478
Temperature: 1.250000
Total energy: -213.307068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.307068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.307068 (E_RNA)
where:
Base-Base interactions energy: -135.650
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.115
local terms energy: -77.541629
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -90.520693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.520693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.520693 (E_RNA)
where:
Base-Base interactions energy: -37.088
where: short stacking energy: -25.811
Base-Backbone interact. energy: -0.836
local terms energy: -52.597236
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -2.369
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: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -80.774312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.774312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.774312 (E_RNA)
where:
Base-Base interactions energy: -22.483
where: short stacking energy: -22.483
Base-Backbone interact. energy: -0.158
local terms energy: -58.133592
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -291.999238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.999238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.999238 (E_RNA)
where:
Base-Base interactions energy: -190.120
where: short stacking energy: -91.270
Base-Backbone interact. energy: -0.010
local terms energy: -101.868335
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -29.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -277.982529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.982529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.982529 (E_RNA)
where:
Base-Base interactions energy: -181.998
where: short stacking energy: -83.217
Base-Backbone interact. energy: -0.870
local terms energy: -95.114886
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -13.583
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: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -284.007718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.007718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.007718 (E_RNA)
where:
Base-Base interactions energy: -190.382
where: short stacking energy: -80.503
Base-Backbone interact. energy: -0.029
local terms energy: -93.596505
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -24.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -273.785631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.785631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.785631 (E_RNA)
where:
Base-Base interactions energy: -177.887
where: short stacking energy: -86.649
Base-Backbone interact. energy: -0.010
local terms energy: -95.888738
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -28.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -279.412901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.412901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.412901 (E_RNA)
where:
Base-Base interactions energy: -191.298
where: short stacking energy: -77.629
Base-Backbone interact. energy: -0.097
local terms energy: -88.018167
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -21.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -254.799307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.799307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.799307 (E_RNA)
where:
Base-Base interactions energy: -180.811
where: short stacking energy: -78.861
Base-Backbone interact. energy: 0.688
local terms energy: -74.676848
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -11.670
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: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -240.960520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.960520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.960520 (E_RNA)
where:
Base-Base interactions energy: -158.109
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.023
local terms energy: -82.828773
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -230.103598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.103598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.103598 (E_RNA)
where:
Base-Base interactions energy: -159.141
where: short stacking energy: -64.342
Base-Backbone interact. energy: 0.751
local terms energy: -71.713828
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -103.673856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.673856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.673856 (E_RNA)
where:
Base-Base interactions energy: -33.904
where: short stacking energy: -24.918
Base-Backbone interact. energy: 0.652
local terms energy: -70.421814
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -86.479842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.479842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.479842 (E_RNA)
where:
Base-Base interactions energy: -29.907
where: short stacking energy: -28.556
Base-Backbone interact. energy: -0.296
local terms energy: -56.277219
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -5.773
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: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -295.273142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.273142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.273142 (E_RNA)
where:
Base-Base interactions energy: -193.346
where: short stacking energy: -94.020
Base-Backbone interact. energy: -0.102
local terms energy: -101.825456
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -25.613
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: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -280.199741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.199741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.199741 (E_RNA)
where:
Base-Base interactions energy: -183.214
where: short stacking energy: -91.696
Base-Backbone interact. energy: -0.061
local terms energy: -96.925122
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -12.763
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: 3, replica: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -278.251155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.251155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.251155 (E_RNA)
where:
Base-Base interactions energy: -185.549
where: short stacking energy: -84.273
Base-Backbone interact. energy: -0.395
local terms energy: -92.307126
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -26.560
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: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -283.825234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.825234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.825234 (E_RNA)
where:
Base-Base interactions energy: -198.864
where: short stacking energy: -85.984
Base-Backbone interact. energy: -0.065
local terms energy: -84.896288
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -26.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -245.084147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.084147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.084147 (E_RNA)
where:
Base-Base interactions energy: -165.873
where: short stacking energy: -77.937
Base-Backbone interact. energy: -0.352
local terms energy: -78.858591
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -245.578593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.578593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.578593 (E_RNA)
where:
Base-Base interactions energy: -167.196
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.048
local terms energy: -78.335266
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -222.123310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.123310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.123310 (E_RNA)
where:
Base-Base interactions energy: -153.269
where: short stacking energy: -67.854
Base-Backbone interact. energy: -0.059
local terms energy: -68.795529
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -224.866000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.866000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.866000 (E_RNA)
where:
Base-Base interactions energy: -149.362
where: short stacking energy: -61.140
Base-Backbone interact. energy: -0.014
local terms energy: -75.490416
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -9.413
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: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -103.624224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.624224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.624224 (E_RNA)
where:
Base-Base interactions energy: -31.328
where: short stacking energy: -30.047
Base-Backbone interact. energy: 0.580
local terms energy: -72.876123
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -93.929742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.929742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.929742 (E_RNA)
where:
Base-Base interactions energy: -33.252
where: short stacking energy: -33.252
Base-Backbone interact. energy: -0.283
local terms energy: -60.393963
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -295.312048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.312048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.312048 (E_RNA)
where:
Base-Base interactions energy: -199.885
where: short stacking energy: -91.192
Base-Backbone interact. energy: -0.589
local terms energy: -94.837529
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -29.687
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: 481
Temperature: 0.950000
Total energy: -281.535677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.535677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.535677 (E_RNA)
where:
Base-Base interactions energy: -192.320
where: short stacking energy: -84.809
Base-Backbone interact. energy: -0.073
local terms energy: -89.142860
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -23.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -282.762126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.762126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.762126 (E_RNA)
where:
Base-Base interactions energy: -187.036
where: short stacking energy: -82.932
Base-Backbone interact. energy: -0.100
local terms energy: -95.626204
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -23.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -286.293078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.293078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.293078 (E_RNA)
where:
Base-Base interactions energy: -200.202
where: short stacking energy: -82.115
Base-Backbone interact. energy: -0.048
local terms energy: -86.042865
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -25.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -259.565942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.565942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.565942 (E_RNA)
where:
Base-Base interactions energy: -177.067
where: short stacking energy: -74.164
Base-Backbone interact. energy: 0.879
local terms energy: -83.378180
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -17.555
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: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -230.392953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.392953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.392953 (E_RNA)
where:
Base-Base interactions energy: -145.033
where: short stacking energy: -70.301
Base-Backbone interact. energy: -0.088
local terms energy: -85.271633
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -23.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -245.668784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.668784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.668784 (E_RNA)
where:
Base-Base interactions energy: -160.673
where: short stacking energy: -66.664
Base-Backbone interact. energy: 2.120
local terms energy: -87.115656
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -20.554
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: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -245.724896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.724896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.724896 (E_RNA)
where:
Base-Base interactions energy: -175.638
where: short stacking energy: -75.013
Base-Backbone interact. energy: -0.291
local terms energy: -69.796332
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -14.756
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: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -91.740081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.740081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.740081 (E_RNA)
where:
Base-Base interactions energy: -37.481
where: short stacking energy: -37.481
Base-Backbone interact. energy: -0.233
local terms energy: -54.025443
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -2.453
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -90.564093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.564093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.564093 (E_RNA)
where:
Base-Base interactions energy: -46.172
where: short stacking energy: -28.773
Base-Backbone interact. energy: -0.695
local terms energy: -43.696700
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -7.803
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -300.335264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.335264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.335264 (E_RNA)
where:
Base-Base interactions energy: -206.959
where: short stacking energy: -81.299
Base-Backbone interact. energy: -0.142
local terms energy: -93.233909
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -25.298
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: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -285.316093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.316093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.316093 (E_RNA)
where:
Base-Base interactions energy: -190.674
where: short stacking energy: -86.554
Base-Backbone interact. energy: 0.862
local terms energy: -95.504628
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -24.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -288.196096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.196096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.196096 (E_RNA)
where:
Base-Base interactions energy: -194.970
where: short stacking energy: -89.324
Base-Backbone interact. energy: -0.104
local terms energy: -93.121999
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -14.726
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: 482
Temperature: 1.050000
Total energy: -253.678052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.678052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.678052 (E_RNA)
where:
Base-Base interactions energy: -170.384
where: short stacking energy: -78.212
Base-Backbone interact. energy: 0.295
local terms energy: -83.589628
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -259.552463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.552463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.552463 (E_RNA)
where:
Base-Base interactions energy: -171.734
where: short stacking energy: -82.078
Base-Backbone interact. energy: -0.048
local terms energy: -87.770751
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -14.704
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: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -233.494228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.494228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.494228 (E_RNA)
where:
Base-Base interactions energy: -157.675
where: short stacking energy: -69.328
Base-Backbone interact. energy: -0.303
local terms energy: -75.516450
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -223.648971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.648971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.648971 (E_RNA)
where:
Base-Base interactions energy: -147.536
where: short stacking energy: -65.410
Base-Backbone interact. energy: -0.466
local terms energy: -75.646755
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -233.643061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.643061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.643061 (E_RNA)
where:
Base-Base interactions energy: -153.992
where: short stacking energy: -67.326
Base-Backbone interact. energy: -0.147
local terms energy: -79.503614
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -13.004
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: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -90.086866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.086866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.086866 (E_RNA)
where:
Base-Base interactions energy: -39.448
where: short stacking energy: -35.364
Base-Backbone interact. energy: 0.331
local terms energy: -50.969679
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -85.191919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.191919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.191919 (E_RNA)
where:
Base-Base interactions energy: -31.104
where: short stacking energy: -30.045
Base-Backbone interact. energy: 2.419
local terms energy: -56.507030
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -295.801737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.801737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.801737 (E_RNA)
where:
Base-Base interactions energy: -206.143
where: short stacking energy: -89.617
Base-Backbone interact. energy: -0.094
local terms energy: -89.565297
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -23.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -289.755790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.755790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.755790 (E_RNA)
where:
Base-Base interactions energy: -199.118
where: short stacking energy: -81.018
Base-Backbone interact. energy: -0.866
local terms energy: -89.770943
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -7.829
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: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -284.426309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.426309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.426309 (E_RNA)
where:
Base-Base interactions energy: -190.809
where: short stacking energy: -92.002
Base-Backbone interact. energy: 0.811
local terms energy: -94.427488
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -16.206
tors. eta vs tors. theta energy: -24.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -267.582510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.582510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.582510 (E_RNA)
where:
Base-Base interactions energy: -173.231
where: short stacking energy: -83.002
Base-Backbone interact. energy: 0.278
local terms energy: -94.629149
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -26.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -263.100487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.100487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.100487 (E_RNA)
where:
Base-Base interactions energy: -178.696
where: short stacking energy: -74.913
Base-Backbone interact. energy: -0.112
local terms energy: -84.291920
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -24.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -236.696920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.696920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.696920 (E_RNA)
where:
Base-Base interactions energy: -160.285
where: short stacking energy: -64.301
Base-Backbone interact. energy: 0.323
local terms energy: -76.734379
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -222.503071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.503071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.503071 (E_RNA)
where:
Base-Base interactions energy: -154.383
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.177
local terms energy: -67.943281
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -249.184527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.184527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.184527 (E_RNA)
where:
Base-Base interactions energy: -167.650
where: short stacking energy: -77.794
Base-Backbone interact. energy: -0.067
local terms energy: -81.468341
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -99.136581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.136581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.136581 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.103
local terms energy: -66.364262
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -92.830519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.830519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.830519 (E_RNA)
where:
Base-Base interactions energy: -43.557
where: short stacking energy: -29.015
Base-Backbone interact. energy: -0.215
local terms energy: -49.057997
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -302.168755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.168755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.168755 (E_RNA)
where:
Base-Base interactions energy: -203.152
where: short stacking energy: -79.847
Base-Backbone interact. energy: -0.133
local terms energy: -98.884092
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -27.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -289.020444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.020444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.020444 (E_RNA)
where:
Base-Base interactions energy: -188.465
where: short stacking energy: -91.654
Base-Backbone interact. energy: -0.000
local terms energy: -100.555536
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -28.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -282.591890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.591890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.591890 (E_RNA)
where:
Base-Base interactions energy: -193.561
where: short stacking energy: -86.041
Base-Backbone interact. energy: -0.429
local terms energy: -88.601860
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -280.774017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.774017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.774017 (E_RNA)
where:
Base-Base interactions energy: -189.841
where: short stacking energy: -77.484
Base-Backbone interact. energy: -0.577
local terms energy: -90.356292
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -12.402
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: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -238.522165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.522165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.522165 (E_RNA)
where:
Base-Base interactions energy: -160.812
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.045
local terms energy: -77.665838
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -8.928
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: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -238.141968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.141968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.141968 (E_RNA)
where:
Base-Base interactions energy: -163.546
where: short stacking energy: -73.024
Base-Backbone interact. energy: 0.614
local terms energy: -75.209862
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -9.801
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: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -214.144980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.144980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.144980 (E_RNA)
where:
Base-Base interactions energy: -143.410
where: short stacking energy: -69.623
Base-Backbone interact. energy: 0.501
local terms energy: -71.235617
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -180.223841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.223841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.223841 (E_RNA)
where:
Base-Base interactions energy: -111.220
where: short stacking energy: -54.231
Base-Backbone interact. energy: -0.358
local terms energy: -68.645925
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -9.423
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: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -83.521576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.521576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.521576 (E_RNA)
where:
Base-Base interactions energy: -29.748
where: short stacking energy: -24.985
Base-Backbone interact. energy: -0.257
local terms energy: -53.516154
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: 4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -89.910083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.910083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.910083 (E_RNA)
where:
Base-Base interactions energy: -35.975
where: short stacking energy: -35.975
Base-Backbone interact. energy: -0.053
local terms energy: -53.882316
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -11.415
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: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -295.198690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.198690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.198690 (E_RNA)
where:
Base-Base interactions energy: -205.409
where: short stacking energy: -81.875
Base-Backbone interact. energy: -0.013
local terms energy: -89.775983
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -23.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -292.566933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.566933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.566933 (E_RNA)
where:
Base-Base interactions energy: -196.972
where: short stacking energy: -84.402
Base-Backbone interact. energy: -0.067
local terms energy: -95.528353
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -27.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -283.646731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.646731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.646731 (E_RNA)
where:
Base-Base interactions energy: -184.067
where: short stacking energy: -83.368
Base-Backbone interact. energy: -0.033
local terms energy: -99.547466
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -28.826
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: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -281.857339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.857339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.857339 (E_RNA)
where:
Base-Base interactions energy: -191.554
where: short stacking energy: -77.433
Base-Backbone interact. energy: -0.217
local terms energy: -90.085575
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -25.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -250.930186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.930186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.930186 (E_RNA)
where:
Base-Base interactions energy: -167.418
where: short stacking energy: -76.541
Base-Backbone interact. energy: -0.158
local terms energy: -83.354919
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -267.231294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.231294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.231294 (E_RNA)
where:
Base-Base interactions energy: -174.953
where: short stacking energy: -80.365
Base-Backbone interact. energy: -0.021
local terms energy: -92.257395
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -26.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -225.655563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.655563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.655563 (E_RNA)
where:
Base-Base interactions energy: -154.007
where: short stacking energy: -53.400
Base-Backbone interact. energy: -0.392
local terms energy: -71.257478
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -8.647
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: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -191.077212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.077212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.077212 (E_RNA)
where:
Base-Base interactions energy: -126.494
where: short stacking energy: -53.982
Base-Backbone interact. energy: -0.021
local terms energy: -64.562706
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -10.278
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: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -98.863946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.863946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.863946 (E_RNA)
where:
Base-Base interactions energy: -41.683
where: short stacking energy: -32.104
Base-Backbone interact. energy: -0.399
local terms energy: -56.782153
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -101.262875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.262875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.262875 (E_RNA)
where:
Base-Base interactions energy: -40.251
where: short stacking energy: -40.251
Base-Backbone interact. energy: -0.031
local terms energy: -60.980667
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -11.938
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: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -290.102389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.102389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.102389 (E_RNA)
where:
Base-Base interactions energy: -195.838
where: short stacking energy: -77.560
Base-Backbone interact. energy: -0.347
local terms energy: -93.917390
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -23.883
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: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -286.356979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.356979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.356979 (E_RNA)
where:
Base-Base interactions energy: -199.111
where: short stacking energy: -79.456
Base-Backbone interact. energy: -0.076
local terms energy: -87.170590
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -13.033
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: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -278.480721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.480721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.480721 (E_RNA)
where:
Base-Base interactions energy: -186.573
where: short stacking energy: -86.851
Base-Backbone interact. energy: 1.029
local terms energy: -92.936379
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -27.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -270.563135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.563135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.563135 (E_RNA)
where:
Base-Base interactions energy: -180.152
where: short stacking energy: -80.812
Base-Backbone interact. energy: -0.008
local terms energy: -90.403381
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -25.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -263.550131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.550131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.550131 (E_RNA)
where:
Base-Base interactions energy: -180.454
where: short stacking energy: -64.621
Base-Backbone interact. energy: -1.428
local terms energy: -81.667834
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -239.349926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.349926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.349926 (E_RNA)
where:
Base-Base interactions energy: -164.371
where: short stacking energy: -68.126
Base-Backbone interact. energy: -0.080
local terms energy: -74.899178
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -232.774234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.774234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.774234 (E_RNA)
where:
Base-Base interactions energy: -152.541
where: short stacking energy: -64.018
Base-Backbone interact. energy: -0.366
local terms energy: -79.867500
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -188.343463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.343463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.343463 (E_RNA)
where:
Base-Base interactions energy: -119.127
where: short stacking energy: -54.695
Base-Backbone interact. energy: 0.846
local terms energy: -70.062609
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -99.844908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.844908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.844908 (E_RNA)
where:
Base-Base interactions energy: -34.647
where: short stacking energy: -28.017
Base-Backbone interact. energy: -0.534
local terms energy: -64.663800
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -110.500370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.500370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.500370 (E_RNA)
where:
Base-Base interactions energy: -52.491
where: short stacking energy: -24.338
Base-Backbone interact. energy: -1.779
local terms energy: -56.230214
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: 1.644
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: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -300.583704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.583704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.583704 (E_RNA)
where:
Base-Base interactions energy: -208.782
where: short stacking energy: -89.386
Base-Backbone interact. energy: -0.037
local terms energy: -91.764808
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -26.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -291.144447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.144447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.144447 (E_RNA)
where:
Base-Base interactions energy: -203.534
where: short stacking energy: -78.217
Base-Backbone interact. energy: -0.088
local terms energy: -87.521927
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -20.555
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: 3, replica: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -284.952693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.952693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.952693 (E_RNA)
where:
Base-Base interactions energy: -191.390
where: short stacking energy: -83.511
Base-Backbone interact. energy: -0.079
local terms energy: -93.482790
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -21.561
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -24.470
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: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -269.095695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.095695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.095695 (E_RNA)
where:
Base-Base interactions energy: -180.757
where: short stacking energy: -75.427
Base-Backbone interact. energy: 0.655
local terms energy: -88.994037
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -18.388
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: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -268.184133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.184133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.184133 (E_RNA)
where:
Base-Base interactions energy: -181.066
where: short stacking energy: -78.569
Base-Backbone interact. energy: -0.105
local terms energy: -87.013074
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -11.930
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: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -242.825006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.825006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.825006 (E_RNA)
where:
Base-Base interactions energy: -159.547
where: short stacking energy: -72.148
Base-Backbone interact. energy: -0.920
local terms energy: -82.357765
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -21.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -255.732203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.732203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.732203 (E_RNA)
where:
Base-Base interactions energy: -171.816
where: short stacking energy: -71.655
Base-Backbone interact. energy: -0.481
local terms energy: -83.435478
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -25.555
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: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -196.697851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.697851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.697851 (E_RNA)
where:
Base-Base interactions energy: -126.388
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.047
local terms energy: -70.262783
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -106.332930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.332930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.332930 (E_RNA)
where:
Base-Base interactions energy: -43.613
where: short stacking energy: -24.368
Base-Backbone interact. energy: -0.660
local terms energy: -62.060272
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -86.180784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.180784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.180784 (E_RNA)
where:
Base-Base interactions energy: -24.396
where: short stacking energy: -22.463
Base-Backbone interact. energy: -0.995
local terms energy: -60.789628
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -298.942869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.942869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.942869 (E_RNA)
where:
Base-Base interactions energy: -206.006
where: short stacking energy: -87.685
Base-Backbone interact. energy: -0.005
local terms energy: -92.932132
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -26.623
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: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -294.556501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.556501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.556501 (E_RNA)
where:
Base-Base interactions energy: -196.985
where: short stacking energy: -86.431
Base-Backbone interact. energy: -0.192
local terms energy: -97.379798
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -16.925
tors. eta vs tors. theta energy: -23.587
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: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -269.499847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.499847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.499847 (E_RNA)
where:
Base-Base interactions energy: -182.909
where: short stacking energy: -83.799
Base-Backbone interact. energy: -0.028
local terms energy: -86.563472
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -281.173801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.173801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.173801 (E_RNA)
where:
Base-Base interactions energy: -200.214
where: short stacking energy: -77.414
Base-Backbone interact. energy: -0.410
local terms energy: -80.549823
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -22.105
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: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -260.566312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.566312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.566312 (E_RNA)
where:
Base-Base interactions energy: -173.748
where: short stacking energy: -76.233
Base-Backbone interact. energy: -0.648
local terms energy: -86.170455
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -242.960381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.960381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.960381 (E_RNA)
where:
Base-Base interactions energy: -155.694
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.129
local terms energy: -87.137696
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -22.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -251.193440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.193440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.193440 (E_RNA)
where:
Base-Base interactions energy: -168.208
where: short stacking energy: -68.063
Base-Backbone interact. energy: -0.136
local terms energy: -82.848798
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -211.038526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.038526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.038526 (E_RNA)
where:
Base-Base interactions energy: -134.526
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.782
local terms energy: -75.730491
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -109.474938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.474938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.474938 (E_RNA)
where:
Base-Base interactions energy: -42.830
where: short stacking energy: -18.755
Base-Backbone interact. energy: -0.350
local terms energy: -66.295706
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -1.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -80.484595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.484595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.484595 (E_RNA)
where:
Base-Base interactions energy: -27.281
where: short stacking energy: -24.723
Base-Backbone interact. energy: -0.555
local terms energy: -52.649380
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: 1.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -297.515662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.515662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.515662 (E_RNA)
where:
Base-Base interactions energy: -201.938
where: short stacking energy: -86.985
Base-Backbone interact. energy: -0.094
local terms energy: -95.483842
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -27.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -280.608490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.608490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.608490 (E_RNA)
where:
Base-Base interactions energy: -184.983
where: short stacking energy: -77.651
Base-Backbone interact. energy: -0.029
local terms energy: -95.596945
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -297.351200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.351200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.351200 (E_RNA)
where:
Base-Base interactions energy: -205.812
where: short stacking energy: -89.730
Base-Backbone interact. energy: -0.548
local terms energy: -90.991591
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -10.716
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: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -275.809795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.809795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.809795 (E_RNA)
where:
Base-Base interactions energy: -185.136
where: short stacking energy: -85.561
Base-Backbone interact. energy: -0.026
local terms energy: -90.648273
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -273.332897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.332897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.332897 (E_RNA)
where:
Base-Base interactions energy: -180.615
where: short stacking energy: -78.814
Base-Backbone interact. energy: -0.004
local terms energy: -92.713353
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -28.457
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: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -246.307771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.307771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.307771 (E_RNA)
where:
Base-Base interactions energy: -166.339
where: short stacking energy: -60.661
Base-Backbone interact. energy: -0.082
local terms energy: -79.886885
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -257.473337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.473337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.473337 (E_RNA)
where:
Base-Base interactions energy: -175.375
where: short stacking energy: -72.376
Base-Backbone interact. energy: -0.719
local terms energy: -81.379384
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -24.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -220.379430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.379430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.379430 (E_RNA)
where:
Base-Base interactions energy: -150.445
where: short stacking energy: -64.997
Base-Backbone interact. energy: -0.140
local terms energy: -69.795189
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -17.881
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: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -86.431548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.431548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.431548 (E_RNA)
where:
Base-Base interactions energy: -20.838
where: short stacking energy: -19.992
Base-Backbone interact. energy: 0.368
local terms energy: -65.962001
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -91.508616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.508616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.508616 (E_RNA)
where:
Base-Base interactions energy: -41.373
where: short stacking energy: -29.648
Base-Backbone interact. energy: 5.753
local terms energy: -55.888379
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: 0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -287.172643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.172643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.172643 (E_RNA)
where:
Base-Base interactions energy: -190.314
where: short stacking energy: -88.658
Base-Backbone interact. energy: -0.002
local terms energy: -96.856248
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -27.864
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: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -290.870996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.870996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.870996 (E_RNA)
where:
Base-Base interactions energy: -199.480
where: short stacking energy: -90.129
Base-Backbone interact. energy: 0.726
local terms energy: -92.117317
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -23.016
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: 3, replica: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -286.409395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.409395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.409395 (E_RNA)
where:
Base-Base interactions energy: -197.823
where: short stacking energy: -81.692
Base-Backbone interact. energy: -0.561
local terms energy: -88.026271
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -23.828
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: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -282.778122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.778122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.778122 (E_RNA)
where:
Base-Base interactions energy: -187.222
where: short stacking energy: -82.832
Base-Backbone interact. energy: -0.016
local terms energy: -95.539951
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -25.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -271.953046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.953046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.953046 (E_RNA)
where:
Base-Base interactions energy: -185.602
where: short stacking energy: -78.185
Base-Backbone interact. energy: 0.237
local terms energy: -86.587774
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -23.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -268.832371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.832371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.832371 (E_RNA)
where:
Base-Base interactions energy: -175.419
where: short stacking energy: -80.543
Base-Backbone interact. energy: -0.241
local terms energy: -93.172267
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -25.218
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: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -241.297281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.297281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.297281 (E_RNA)
where:
Base-Base interactions energy: -160.956
where: short stacking energy: -70.540
Base-Backbone interact. energy: -0.049
local terms energy: -80.292793
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -12.353
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: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -227.495017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.495017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.495017 (E_RNA)
where:
Base-Base interactions energy: -151.789
where: short stacking energy: -65.407
Base-Backbone interact. energy: 0.141
local terms energy: -75.847225
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -6.320
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: 9, replica: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -99.401146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.401146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.401146 (E_RNA)
where:
Base-Base interactions energy: -39.274
where: short stacking energy: -25.385
Base-Backbone interact. energy: 0.457
local terms energy: -60.584231
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: 0.034
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: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -94.849092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.849092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.849092 (E_RNA)
where:
Base-Base interactions energy: -31.103
where: short stacking energy: -28.218
Base-Backbone interact. energy: -0.396
local terms energy: -63.349550
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -9.940
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: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -297.083494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.083494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.083494 (E_RNA)
where:
Base-Base interactions energy: -202.684
where: short stacking energy: -87.214
Base-Backbone interact. energy: -0.074
local terms energy: -94.325675
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -16.850
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: 2, replica: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -285.762049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.762049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.762049 (E_RNA)
where:
Base-Base interactions energy: -193.300
where: short stacking energy: -89.356
Base-Backbone interact. energy: -0.143
local terms energy: -92.319400
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -9.821
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: 3, replica: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -266.451953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.451953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.451953 (E_RNA)
where:
Base-Base interactions energy: -177.583
where: short stacking energy: -75.449
Base-Backbone interact. energy: -0.024
local terms energy: -88.844449
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -278.877680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.877680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.877680 (E_RNA)
where:
Base-Base interactions energy: -189.345
where: short stacking energy: -80.117
Base-Backbone interact. energy: -0.083
local terms energy: -89.449623
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -24.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -266.888529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.888529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.888529 (E_RNA)
where:
Base-Base interactions energy: -176.863
where: short stacking energy: -69.489
Base-Backbone interact. energy: -0.242
local terms energy: -89.784030
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -22.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -260.787827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.787827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.787827 (E_RNA)
where:
Base-Base interactions energy: -174.074
where: short stacking energy: -75.251
Base-Backbone interact. energy: 1.479
local terms energy: -88.193636
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -22.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -228.923284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.923284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.923284 (E_RNA)
where:
Base-Base interactions energy: -158.930
where: short stacking energy: -65.484
Base-Backbone interact. energy: 0.728
local terms energy: -70.721830
where:
bonds (distance) C4'-P energy: -6.022
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -16.901
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: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -216.770989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.770989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.770989 (E_RNA)
where:
Base-Base interactions energy: -143.658
where: short stacking energy: -74.285
Base-Backbone interact. energy: -0.217
local terms energy: -72.895766
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -16.357
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: 8
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -110.161192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.161192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.161192 (E_RNA)
where:
Base-Base interactions energy: -42.408
where: short stacking energy: -42.608
Base-Backbone interact. energy: -0.005
local terms energy: -67.748522
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -90.664917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.664917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.664917 (E_RNA)
where:
Base-Base interactions energy: -28.803
where: short stacking energy: -23.912
Base-Backbone interact. energy: -0.100
local terms energy: -61.761878
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -11.301
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: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -292.526863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.526863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.526863 (E_RNA)
where:
Base-Base interactions energy: -198.194
where: short stacking energy: -85.901
Base-Backbone interact. energy: 0.464
local terms energy: -94.797118
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -11.533
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: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -281.804352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.804352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.804352 (E_RNA)
where:
Base-Base interactions energy: -191.115
where: short stacking energy: -82.595
Base-Backbone interact. energy: -0.376
local terms energy: -90.313488
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -21.701
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: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -279.780753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.780753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.780753 (E_RNA)
where:
Base-Base interactions energy: -193.450
where: short stacking energy: -76.695
Base-Backbone interact. energy: 0.455
local terms energy: -86.785498
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -23.384
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: 7
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -261.899167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.899167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.899167 (E_RNA)
where:
Base-Base interactions energy: -178.115
where: short stacking energy: -79.935
Base-Backbone interact. energy: -1.209
local terms energy: -82.575720
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -269.278346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.278346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.278346 (E_RNA)
where:
Base-Base interactions energy: -178.224
where: short stacking energy: -74.206
Base-Backbone interact. energy: -0.913
local terms energy: -90.141236
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -13.458
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: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -234.053297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.053297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.053297 (E_RNA)
where:
Base-Base interactions energy: -149.897
where: short stacking energy: -68.104
Base-Backbone interact. energy: -0.072
local terms energy: -84.084474
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -211.412373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.412373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.412373 (E_RNA)
where:
Base-Base interactions energy: -139.897
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.648
local terms energy: -70.867309
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -217.593675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.593675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.593675 (E_RNA)
where:
Base-Base interactions energy: -151.602
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.236
local terms energy: -65.755911
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -101.803062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.803062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.803062 (E_RNA)
where:
Base-Base interactions energy: -31.215
where: short stacking energy: -31.215
Base-Backbone interact. energy: -0.010
local terms energy: -70.577594
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -91.258720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.258720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.258720 (E_RNA)
where:
Base-Base interactions energy: -34.966
where: short stacking energy: -34.966
Base-Backbone interact. energy: -0.273
local terms energy: -56.020273
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: 2.026
tors. eta vs tors. theta energy: -8.950
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: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -300.097885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.097885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.097885 (E_RNA)
where:
Base-Base interactions energy: -204.437
where: short stacking energy: -88.740
Base-Backbone interact. energy: -0.110
local terms energy: -95.550074
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -25.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -289.815631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.815631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.815631 (E_RNA)
where:
Base-Base interactions energy: -195.379
where: short stacking energy: -85.629
Base-Backbone interact. energy: -0.019
local terms energy: -94.417713
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -292.748746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.748746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.748746 (E_RNA)
where:
Base-Base interactions energy: -198.567
where: short stacking energy: -79.111
Base-Backbone interact. energy: -0.659
local terms energy: -93.523095
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -23.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -272.245386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.245386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.245386 (E_RNA)
where:
Base-Base interactions energy: -188.363
where: short stacking energy: -73.258
Base-Backbone interact. energy: -0.013
local terms energy: -83.868860
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -12.739
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: 5, replica: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -273.908500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.908500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.908500 (E_RNA)
where:
Base-Base interactions energy: -185.112
where: short stacking energy: -78.929
Base-Backbone interact. energy: -0.090
local terms energy: -88.706280
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -25.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -225.687587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.687587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.687587 (E_RNA)
where:
Base-Base interactions energy: -149.388
where: short stacking energy: -60.782
Base-Backbone interact. energy: -1.177
local terms energy: -75.123451
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -232.408777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.408777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.408777 (E_RNA)
where:
Base-Base interactions energy: -149.281
where: short stacking energy: -62.694
Base-Backbone interact. energy: -0.483
local terms energy: -82.645241
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -225.328772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.328772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.328772 (E_RNA)
where:
Base-Base interactions energy: -143.729
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.039
local terms energy: -81.561321
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -95.175522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.175522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.175522 (E_RNA)
where:
Base-Base interactions energy: -35.107
where: short stacking energy: -30.341
Base-Backbone interact. energy: -0.485
local terms energy: -59.583502
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -89.353703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.353703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.353703 (E_RNA)
where:
Base-Base interactions energy: -28.929
where: short stacking energy: -22.868
Base-Backbone interact. energy: 1.097
local terms energy: -61.521205
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -296.818072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.818072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.818072 (E_RNA)
where:
Base-Base interactions energy: -198.465
where: short stacking energy: -83.322
Base-Backbone interact. energy: 1.089
local terms energy: -99.442030
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -15.492
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: 2, replica: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -291.970206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.970206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.970206 (E_RNA)
where:
Base-Base interactions energy: -199.200
where: short stacking energy: -85.816
Base-Backbone interact. energy: -0.122
local terms energy: -92.647778
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -24.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -278.431133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.431133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.431133 (E_RNA)
where:
Base-Base interactions energy: -187.833
where: short stacking energy: -78.825
Base-Backbone interact. energy: -0.125
local terms energy: -90.472441
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -24.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -287.584566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.584566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.584566 (E_RNA)
where:
Base-Base interactions energy: -189.271
where: short stacking energy: -76.284
Base-Backbone interact. energy: -0.535
local terms energy: -97.778207
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -14.550
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: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -269.475728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.475728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.475728 (E_RNA)
where:
Base-Base interactions energy: -182.491
where: short stacking energy: -77.154
Base-Backbone interact. energy: -0.117
local terms energy: -86.867351
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -25.147
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: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -215.727225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.727225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.727225 (E_RNA)
where:
Base-Base interactions energy: -140.325
where: short stacking energy: -59.648
Base-Backbone interact. energy: -0.726
local terms energy: -74.676244
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -233.687442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.687442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.687442 (E_RNA)
where:
Base-Base interactions energy: -154.345
where: short stacking energy: -55.126
Base-Backbone interact. energy: -0.200
local terms energy: -79.143161
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -229.275621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.275621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.275621 (E_RNA)
where:
Base-Base interactions energy: -162.263
where: short stacking energy: -67.474
Base-Backbone interact. energy: 0.924
local terms energy: -67.936952
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -107.758321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.758321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.758321 (E_RNA)
where:
Base-Base interactions energy: -53.237
where: short stacking energy: -49.225
Base-Backbone interact. energy: -0.015
local terms energy: -54.506317
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -1.655
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -100.495681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.495681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.495681 (E_RNA)
where:
Base-Base interactions energy: -38.758
where: short stacking energy: -34.876
Base-Backbone interact. energy: 0.079
local terms energy: -61.816790
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -298.605645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.605645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.605645 (E_RNA)
where:
Base-Base interactions energy: -205.936
where: short stacking energy: -90.992
Base-Backbone interact. energy: -0.125
local terms energy: -92.544446
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -12.050
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: 2, replica: 6
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -292.627370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.627370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.627370 (E_RNA)
where:
Base-Base interactions energy: -200.210
where: short stacking energy: -87.734
Base-Backbone interact. energy: -0.002
local terms energy: -92.415178
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -25.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -273.930097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.930097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.930097 (E_RNA)
where:
Base-Base interactions energy: -181.363
where: short stacking energy: -83.574
Base-Backbone interact. energy: -0.040
local terms energy: -92.527026
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -24.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -271.950144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.950144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.950144 (E_RNA)
where:
Base-Base interactions energy: -186.017
where: short stacking energy: -84.404
Base-Backbone interact. energy: -0.449
local terms energy: -85.483465
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -25.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -265.273059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.273059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.273059 (E_RNA)
where:
Base-Base interactions energy: -175.573
where: short stacking energy: -76.966
Base-Backbone interact. energy: -0.050
local terms energy: -89.650023
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -247.292989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.292989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.292989 (E_RNA)
where:
Base-Base interactions energy: -167.430
where: short stacking energy: -77.559
Base-Backbone interact. energy: -0.001
local terms energy: -79.861734
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -22.023
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: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -224.637858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.637858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.637858 (E_RNA)
where:
Base-Base interactions energy: -147.942
where: short stacking energy: -53.156
Base-Backbone interact. energy: -0.176
local terms energy: -76.519488
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -221.734727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.734727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.734727 (E_RNA)
where:
Base-Base interactions energy: -145.305
where: short stacking energy: -67.603
Base-Backbone interact. energy: 1.907
local terms energy: -78.336771
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -98.443173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.443173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.443173 (E_RNA)
where:
Base-Base interactions energy: -40.241
where: short stacking energy: -40.241
Base-Backbone interact. energy: -0.286
local terms energy: -57.916888
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -86.505301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.505301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.505301 (E_RNA)
where:
Base-Base interactions energy: -21.409
where: short stacking energy: -21.409
Base-Backbone interact. energy: -0.133
local terms energy: -64.963244
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -293.689090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.689090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.689090 (E_RNA)
where:
Base-Base interactions energy: -200.675
where: short stacking energy: -79.381
Base-Backbone interact. energy: 0.258
local terms energy: -93.271793
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -284.431626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.431626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.431626 (E_RNA)
where:
Base-Base interactions energy: -185.934
where: short stacking energy: -90.695
Base-Backbone interact. energy: -0.010
local terms energy: -98.487935
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -287.801924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.801924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.801924 (E_RNA)
where:
Base-Base interactions energy: -184.159
where: short stacking energy: -92.751
Base-Backbone interact. energy: -0.065
local terms energy: -103.577256
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -16.109
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: 10
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -275.082267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.082267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.082267 (E_RNA)
where:
Base-Base interactions energy: -186.689
where: short stacking energy: -75.837
Base-Backbone interact. energy: -0.118
local terms energy: -88.275525
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -262.742146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.742146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.742146 (E_RNA)
where:
Base-Base interactions energy: -171.986
where: short stacking energy: -84.691
Base-Backbone interact. energy: -0.004
local terms energy: -90.751550
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -260.994102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.994102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.994102 (E_RNA)
where:
Base-Base interactions energy: -171.910
where: short stacking energy: -77.769
Base-Backbone interact. energy: -0.062
local terms energy: -89.022550
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -26.815
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: 7, replica: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -234.605340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.605340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.605340 (E_RNA)
where:
Base-Base interactions energy: -154.720
where: short stacking energy: -70.616
Base-Backbone interact. energy: -0.058
local terms energy: -79.827058
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -19.710
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: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -228.854862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.854862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.854862 (E_RNA)
where:
Base-Base interactions energy: -147.482
where: short stacking energy: -66.267
Base-Backbone interact. energy: -0.054
local terms energy: -81.318615
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -100.983140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.983140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.983140 (E_RNA)
where:
Base-Base interactions energy: -40.032
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.147
local terms energy: -60.804379
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -94.339525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.339525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.339525 (E_RNA)
where:
Base-Base interactions energy: -36.839
where: short stacking energy: -31.920
Base-Backbone interact. energy: -0.437
local terms energy: -57.063524
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -8.729
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: 6
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -293.411581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.411581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.411581 (E_RNA)
where:
Base-Base interactions energy: -199.795
where: short stacking energy: -88.828
Base-Backbone interact. energy: -0.223
local terms energy: -93.394306
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -12.771
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: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -290.903637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.903637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.903637 (E_RNA)
where:
Base-Base interactions energy: -193.057
where: short stacking energy: -81.475
Base-Backbone interact. energy: -0.106
local terms energy: -97.740999
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -14.270
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: 3, replica: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -282.655794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.655794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.655794 (E_RNA)
where:
Base-Base interactions energy: -190.395
where: short stacking energy: -81.968
Base-Backbone interact. energy: -0.289
local terms energy: -91.971540
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -10.153
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: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -275.319604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.319604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.319604 (E_RNA)
where:
Base-Base interactions energy: -187.253
where: short stacking energy: -72.884
Base-Backbone interact. energy: -0.281
local terms energy: -87.786149
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -21.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -279.289307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.289307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.289307 (E_RNA)
where:
Base-Base interactions energy: -191.663
where: short stacking energy: -81.231
Base-Backbone interact. energy: 0.729
local terms energy: -88.355376
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -269.453088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.453088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.453088 (E_RNA)
where:
Base-Base interactions energy: -177.714
where: short stacking energy: -76.500
Base-Backbone interact. energy: 1.733
local terms energy: -93.472772
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -13.054
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: 7, replica: 3
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -251.847612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.847612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.847612 (E_RNA)
where:
Base-Base interactions energy: -171.619
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.074
local terms energy: -80.154573
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -220.867023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.867023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.867023 (E_RNA)
where:
Base-Base interactions energy: -146.055
where: short stacking energy: -65.691
Base-Backbone interact. energy: -0.298
local terms energy: -74.513542
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -118.727943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.727943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.727943 (E_RNA)
where:
Base-Base interactions energy: -65.528
where: short stacking energy: -42.379
Base-Backbone interact. energy: -0.345
local terms energy: -52.854541
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -8.069
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -84.715486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.715486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.715486 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -34.541
Base-Backbone interact. energy: 0.393
local terms energy: -50.567325
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -292.088255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.088255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.088255 (E_RNA)
where:
Base-Base interactions energy: -197.274
where: short stacking energy: -92.182
Base-Backbone interact. energy: -0.092
local terms energy: -94.722410
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -26.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -293.144284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.144284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.144284 (E_RNA)
where:
Base-Base interactions energy: -199.980
where: short stacking energy: -87.001
Base-Backbone interact. energy: -0.124
local terms energy: -93.040610
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -11.361
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: 3, replica: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -290.091228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.091228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.091228 (E_RNA)
where:
Base-Base interactions energy: -201.328
where: short stacking energy: -79.579
Base-Backbone interact. energy: -0.043
local terms energy: -88.719678
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -25.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -272.714512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.714512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.714512 (E_RNA)
where:
Base-Base interactions energy: -188.456
where: short stacking energy: -84.246
Base-Backbone interact. energy: -0.034
local terms energy: -84.224150
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -267.457137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.457137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.457137 (E_RNA)
where:
Base-Base interactions energy: -182.773
where: short stacking energy: -81.743
Base-Backbone interact. energy: -0.026
local terms energy: -84.657318
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -11.686
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: 6, replica: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -264.497941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.497941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.497941 (E_RNA)
where:
Base-Base interactions energy: -187.420
where: short stacking energy: -77.310
Base-Backbone interact. energy: 0.667
local terms energy: -77.744070
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -20.583
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: 498
Temperature: 1.200000
Total energy: -242.251753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.251753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.251753 (E_RNA)
where:
Base-Base interactions energy: -165.000
where: short stacking energy: -73.889
Base-Backbone interact. energy: -0.174
local terms energy: -77.078102
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -261.878752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.878752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.878752 (E_RNA)
where:
Base-Base interactions energy: -184.602
where: short stacking energy: -74.926
Base-Backbone interact. energy: 1.042
local terms energy: -78.318317
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -22.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -98.267710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.267710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.267710 (E_RNA)
where:
Base-Base interactions energy: -41.352
where: short stacking energy: -29.235
Base-Backbone interact. energy: 0.396
local terms energy: -57.311643
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -4.777
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: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -90.444415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.444415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.444415 (E_RNA)
where:
Base-Base interactions energy: -43.778
where: short stacking energy: -29.448
Base-Backbone interact. energy: -0.135
local terms energy: -46.531415
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -6.662
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -293.501764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.501764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.501764 (E_RNA)
where:
Base-Base interactions energy: -194.309
where: short stacking energy: -84.384
Base-Backbone interact. energy: -0.003
local terms energy: -99.189294
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -28.347
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: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -291.126456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.126456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.126456 (E_RNA)
where:
Base-Base interactions energy: -196.937
where: short stacking energy: -86.812
Base-Backbone interact. energy: -0.089
local terms energy: -94.100154
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -284.005765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.005765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.005765 (E_RNA)
where:
Base-Base interactions energy: -187.892
where: short stacking energy: -78.899
Base-Backbone interact. energy: -0.004
local terms energy: -96.109012
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -23.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -281.074215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.074215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.074215 (E_RNA)
where:
Base-Base interactions energy: -188.560
where: short stacking energy: -89.032
Base-Backbone interact. energy: -0.006
local terms energy: -92.508073
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -27.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -264.962338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.962338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.962338 (E_RNA)
where:
Base-Base interactions energy: -177.636
where: short stacking energy: -80.654
Base-Backbone interact. energy: -0.026
local terms energy: -87.300243
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -23.509
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: 6, replica: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -242.713421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.713421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.713421 (E_RNA)
where:
Base-Base interactions energy: -163.062
where: short stacking energy: -68.053
Base-Backbone interact. energy: -0.035
local terms energy: -79.615757
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -259.180762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.180762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.180762 (E_RNA)
where:
Base-Base interactions energy: -166.310
where: short stacking energy: -73.652
Base-Backbone interact. energy: -0.146
local terms energy: -92.725064
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -255.192147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.192147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.192147 (E_RNA)
where:
Base-Base interactions energy: -175.836
where: short stacking energy: -75.748
Base-Backbone interact. energy: 0.640
local terms energy: -79.995982
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -92.176509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.176509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.176509 (E_RNA)
where:
Base-Base interactions energy: -32.984
where: short stacking energy: -32.984
Base-Backbone interact. energy: -0.083
local terms energy: -59.109181
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: 1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -94.391861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.391861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.391861 (E_RNA)
where:
Base-Base interactions energy: -37.057
where: short stacking energy: -28.377
Base-Backbone interact. energy: -0.278
local terms energy: -57.056640
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -302.259195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.259195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.259195 (E_RNA)
where:
Base-Base interactions energy: -201.129
where: short stacking energy: -84.360
Base-Backbone interact. energy: -0.094
local terms energy: -101.035660
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -21.366
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -13.734
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: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -297.098353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.098353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.098353 (E_RNA)
where:
Base-Base interactions energy: -204.232
where: short stacking energy: -80.699
Base-Backbone interact. energy: -0.106
local terms energy: -92.760327
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -13.143
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: 3, replica: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -291.485048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.485048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.485048 (E_RNA)
where:
Base-Base interactions energy: -188.240
where: short stacking energy: -85.028
Base-Backbone interact. energy: -0.498
local terms energy: -102.746893
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -27.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -265.133260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.133260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.133260 (E_RNA)
where:
Base-Base interactions energy: -173.061
where: short stacking energy: -75.633
Base-Backbone interact. energy: -0.097
local terms energy: -91.975893
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -19.826
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: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -252.058378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.058378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.058378 (E_RNA)
where:
Base-Base interactions energy: -166.124
where: short stacking energy: -75.985
Base-Backbone interact. energy: -0.397
local terms energy: -85.537444
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -253.905760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.905760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.905760 (E_RNA)
where:
Base-Base interactions energy: -178.328
where: short stacking energy: -76.736
Base-Backbone interact. energy: -0.578
local terms energy: -74.999940
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -19.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -229.620065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.620065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.620065 (E_RNA)
where:
Base-Base interactions energy: -174.951
where: short stacking energy: -72.538
Base-Backbone interact. energy: 0.275
local terms energy: -54.943609
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -6.998
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -17.473
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: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -239.848454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.848454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.848454 (E_RNA)
where:
Base-Base interactions energy: -153.828
where: short stacking energy: -61.494
Base-Backbone interact. energy: -0.010
local terms energy: -86.010742
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -94.031913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.031913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.031913 (E_RNA)
where:
Base-Base interactions energy: -30.130
where: short stacking energy: -20.372
Base-Backbone interact. energy: -0.495
local terms energy: -63.406820
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -91.204827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.204827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.204827 (E_RNA)
where:
Base-Base interactions energy: -31.317
where: short stacking energy: -22.240
Base-Backbone interact. energy: 0.540
local terms energy: -60.428420
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -5.342
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: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -298.562454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.562454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.562454 (E_RNA)
where:
Base-Base interactions energy: -210.729
where: short stacking energy: -84.466
Base-Backbone interact. energy: -0.151
local terms energy: -87.682649
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -20.889
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -291.962656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.962656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.962656 (E_RNA)
where:
Base-Base interactions energy: -196.384
where: short stacking energy: -84.765
Base-Backbone interact. energy: -0.079
local terms energy: -95.499714
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -27.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -270.095758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.095758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.095758 (E_RNA)
where:
Base-Base interactions energy: -181.483
where: short stacking energy: -74.997
Base-Backbone interact. energy: -0.100
local terms energy: -88.512842
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -13.724
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: 4, replica: 1
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -245.390336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.390336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.390336 (E_RNA)
where:
Base-Base interactions energy: -160.262
where: short stacking energy: -77.496
Base-Backbone interact. energy: -0.011
local terms energy: -85.117681
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -15.042
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: 5, replica: 5
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -245.357035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.357035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.357035 (E_RNA)
where:
Base-Base interactions energy: -163.644
where: short stacking energy: -77.473
Base-Backbone interact. energy: -0.022
local terms energy: -81.691242
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -9.168
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: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -262.489043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.489043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.489043 (E_RNA)
where:
Base-Base interactions energy: -180.531
where: short stacking energy: -75.395
Base-Backbone interact. energy: -0.369
local terms energy: -81.589323
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -13.363
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: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -236.622045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.622045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.622045 (E_RNA)
where:
Base-Base interactions energy: -162.220
where: short stacking energy: -72.238
Base-Backbone interact. energy: 0.904
local terms energy: -75.306246
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -226.121736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.121736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.121736 (E_RNA)
where:
Base-Base interactions energy: -144.770
where: short stacking energy: -68.487
Base-Backbone interact. energy: -1.205
local terms energy: -80.146915
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -15.415
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: 9, replica: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -95.212051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.212051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.212051 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -31.556
Base-Backbone interact. energy: -0.130
local terms energy: -63.525560
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -7.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -85.741036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.741036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.741036 (E_RNA)
where:
Base-Base interactions energy: -32.241
where: short stacking energy: -28.489
Base-Backbone interact. energy: -0.556
local terms energy: -52.944049
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: 0.153
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)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14668525
moves confirmed later: 16626283
all moves confirmed: 31294808
percent of confirmed moves: 3.911851
current total energy: -260.203945
recalc. total energy: -260.203945
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 18784697
moves confirmed later: 22059061
all moves confirmed: 40843758
percent of confirmed moves: 5.105470
current total energy: -245.289759
recalc. total energy: -245.289759
replica 6 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 14716700
moves confirmed later: 16655216
all moves confirmed: 31371916
percent of confirmed moves: 3.921489
current total energy: -249.609326
recalc. total energy: -249.609326
replica 1 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 21723331
moves confirmed later: 25916101
all moves confirmed: 47639432
percent of confirmed moves: 5.954929
current total energy: -219.451060
recalc. total energy: -219.451060
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 18388037
moves confirmed later: 21588496
all moves confirmed: 39976533
percent of confirmed moves: 4.997067
current total energy: -217.190500
recalc. total energy: -217.190500
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 23776531
moves confirmed later: 28639485
all moves confirmed: 52416016
percent of confirmed moves: 6.552002
current total energy: -188.160241
recalc. total energy: -188.160241
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 18992680
moves confirmed later: 22361952
all moves confirmed: 41354632
percent of confirmed moves: 5.169329
current total energy: -201.982447
recalc. total energy: -201.982447
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 15870535
moves confirmed later: 18208170
all moves confirmed: 34078705
percent of confirmed moves: 4.259838
current total energy: -196.554692
recalc. total energy: -196.554692
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 25608229
moves confirmed later: 31084444
all moves confirmed: 56692673
percent of confirmed moves: 7.086584
current total energy: -76.578692
recalc. total energy: -76.578692
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 32008913
moves confirmed later: 39447925
all moves confirmed: 71456838
percent of confirmed moves: 8.932105
current total energy: -30.718550
recalc. total energy: -30.718550
out arg RESULTS//1/15-Agno-OO-c94c4512_01
Time of doing 8000000 iterations: 2984.223 seconds