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/USUV-30a94c61/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-30a94c61/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-30a94c61/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-30a94c61/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-30a94c61/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-30a94c61/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-30a94c61/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-30a94c61/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-30a94c61/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-30a94c61/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-30a94c61/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-30a94c61/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-30a94c61/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-30a94c61/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-30a94c61/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-30a94c61/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-30a94c61/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-30a94c61/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/USUV-30a94c61/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-30a94c61/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -138.865040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.865040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.865040 (E_RNA)
where:
Base-Base interactions energy: -66.487
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.003
local terms energy: -72.375736
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -128.923886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.923886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.923886 (E_RNA)
where:
Base-Base interactions energy: -63.775
where: short stacking energy: -46.452
Base-Backbone interact. energy: -0.191
local terms energy: -64.957925
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -116.934024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.934024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.934024 (E_RNA)
where:
Base-Base interactions energy: -60.511
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.679
local terms energy: -55.743749
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.324
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -122.134121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.134121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.134121 (E_RNA)
where:
Base-Base interactions energy: -51.349
where: short stacking energy: -51.349
Base-Backbone interact. energy: -0.175
local terms energy: -70.609635
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -122.726585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.726585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.726585 (E_RNA)
where:
Base-Base interactions energy: -65.638
where: short stacking energy: -42.579
Base-Backbone interact. energy: -0.134
local terms energy: -56.953903
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -94.162013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.162013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.162013 (E_RNA)
where:
Base-Base interactions energy: -43.760
where: short stacking energy: -33.452
Base-Backbone interact. energy: -0.037
local terms energy: -50.365539
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -4.923
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -110.404563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.404563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.404563 (E_RNA)
where:
Base-Base interactions energy: -57.653
where: short stacking energy: -34.867
Base-Backbone interact. energy: 0.058
local terms energy: -52.809781
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -95.652177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.652177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.652177 (E_RNA)
where:
Base-Base interactions energy: -34.620
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.207
local terms energy: -60.825053
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -78.490356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.490356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.490356 (E_RNA)
where:
Base-Base interactions energy: -16.418
where: short stacking energy: -16.219
Base-Backbone interact. energy: -1.152
local terms energy: -60.920896
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.718
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -77.824651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.824651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.824651 (E_RNA)
where:
Base-Base interactions energy: -0.757
where: short stacking energy: -0.757
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -133.569375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.569375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.569375 (E_RNA)
where:
Base-Base interactions energy: -65.010
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.065
local terms energy: -68.494895
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -143.802214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.802214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.802214 (E_RNA)
where:
Base-Base interactions energy: -70.163
where: short stacking energy: -53.549
Base-Backbone interact. energy: -0.015
local terms energy: -73.624091
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -138.984975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.984975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.984975 (E_RNA)
where:
Base-Base interactions energy: -71.310
where: short stacking energy: -53.645
Base-Backbone interact. energy: -0.040
local terms energy: -67.635201
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -8.776
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -137.753367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.753367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.753367 (E_RNA)
where:
Base-Base interactions energy: -76.048
where: short stacking energy: -45.999
Base-Backbone interact. energy: -0.145
local terms energy: -61.560230
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -108.230688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.230688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.230688 (E_RNA)
where:
Base-Base interactions energy: -38.458
where: short stacking energy: -38.458
Base-Backbone interact. energy: -0.082
local terms energy: -69.691040
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -118.423251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.423251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.423251 (E_RNA)
where:
Base-Base interactions energy: -79.161
where: short stacking energy: -45.961
Base-Backbone interact. energy: -0.265
local terms energy: -38.996831
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -6.763
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -3.692
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -100.114988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.114988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.114988 (E_RNA)
where:
Base-Base interactions energy: -54.892
where: short stacking energy: -33.037
Base-Backbone interact. energy: -0.104
local terms energy: -45.118876
where:
bonds (distance) C4'-P energy: -6.408
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -88.197409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197409 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -24.421
Base-Backbone interact. energy: -0.145
local terms energy: -46.495107
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -77.319642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.319642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.319642 (E_RNA)
where:
Base-Base interactions energy: -38.969
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.626
local terms energy: -37.723852
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -74.585740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.585740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.585740 (E_RNA)
where:
Base-Base interactions energy: -24.134
where: short stacking energy: -21.872
Base-Backbone interact. energy: -0.085
local terms energy: -50.367481
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: 1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -156.361718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.361718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.361718 (E_RNA)
where:
Base-Base interactions energy: -82.476
where: short stacking energy: -57.091
Base-Backbone interact. energy: -0.210
local terms energy: -73.676427
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -127.844150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.844150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.844150 (E_RNA)
where:
Base-Base interactions energy: -67.370
where: short stacking energy: -41.896
Base-Backbone interact. energy: -0.342
local terms energy: -60.131746
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -144.752048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.752048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.752048 (E_RNA)
where:
Base-Base interactions energy: -84.086
where: short stacking energy: -47.919
Base-Backbone interact. energy: -0.653
local terms energy: -60.012666
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -2.107
tors. eta vs tors. theta energy: -10.778
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -146.237443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.237443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.237443 (E_RNA)
where:
Base-Base interactions energy: -80.244
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.272
local terms energy: -65.722139
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -8.943
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: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -153.492337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.492337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.492337 (E_RNA)
where:
Base-Base interactions energy: -89.567
where: short stacking energy: -47.384
Base-Backbone interact. energy: -0.393
local terms energy: -63.532616
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -91.125445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.125445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.125445 (E_RNA)
where:
Base-Base interactions energy: -41.091
where: short stacking energy: -40.572
Base-Backbone interact. energy: -0.187
local terms energy: -49.846704
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -2.124
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -92.255816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.255816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.255816 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -34.478
Base-Backbone interact. energy: 0.171
local terms energy: -57.208819
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -102.747386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.747386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.747386 (E_RNA)
where:
Base-Base interactions energy: -55.944
where: short stacking energy: -31.566
Base-Backbone interact. energy: 0.347
local terms energy: -47.150873
where:
bonds (distance) C4'-P energy: -8.458
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -92.064964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.064964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.064964 (E_RNA)
where:
Base-Base interactions energy: -35.840
where: short stacking energy: -29.124
Base-Backbone interact. energy: 0.243
local terms energy: -56.467733
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -82.825471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.825471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.825471 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -33.291
Base-Backbone interact. energy: 0.227
local terms energy: -49.398803
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -134.084232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.084232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.084232 (E_RNA)
where:
Base-Base interactions energy: -66.993
where: short stacking energy: -53.487
Base-Backbone interact. energy: -0.067
local terms energy: -67.024185
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -13.084
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: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -161.385477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.385477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.385477 (E_RNA)
where:
Base-Base interactions energy: -97.334
where: short stacking energy: -44.710
Base-Backbone interact. energy: -0.824
local terms energy: -63.227894
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -10.069
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: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -117.266267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.266267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.266267 (E_RNA)
where:
Base-Base interactions energy: -48.145
where: short stacking energy: -47.510
Base-Backbone interact. energy: -0.010
local terms energy: -69.111948
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -10.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -135.392204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.392204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.392204 (E_RNA)
where:
Base-Base interactions energy: -73.901
where: short stacking energy: -36.928
Base-Backbone interact. energy: -0.626
local terms energy: -60.865859
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -145.378506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.378506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.378506 (E_RNA)
where:
Base-Base interactions energy: -83.322
where: short stacking energy: -50.273
Base-Backbone interact. energy: -0.040
local terms energy: -62.016425
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -96.591207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.591207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.591207 (E_RNA)
where:
Base-Base interactions energy: -38.721
where: short stacking energy: -38.721
Base-Backbone interact. energy: 0.150
local terms energy: -58.020453
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -10.686
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: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -89.249973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.249973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.249973 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -35.821
Base-Backbone interact. energy: -0.130
local terms energy: -48.112295
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: 0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -88.494417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.494417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.494417 (E_RNA)
where:
Base-Base interactions energy: -43.546
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.074
local terms energy: -44.873968
where:
bonds (distance) C4'-P energy: -7.483
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -82.196404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.196404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.196404 (E_RNA)
where:
Base-Base interactions energy: -26.911
where: short stacking energy: -20.225
Base-Backbone interact. energy: -0.189
local terms energy: -55.096311
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -1.063
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: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -99.075048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.075048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.075048 (E_RNA)
where:
Base-Base interactions energy: -51.621
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.199
local terms energy: -47.254261
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -164.038255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.038255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.038255 (E_RNA)
where:
Base-Base interactions energy: -95.690
where: short stacking energy: -54.448
Base-Backbone interact. energy: -0.251
local terms energy: -68.097087
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -132.381608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.381608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.381608 (E_RNA)
where:
Base-Base interactions energy: -58.729
where: short stacking energy: -52.675
Base-Backbone interact. energy: -0.049
local terms energy: -73.603073
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -135.041690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.041690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.041690 (E_RNA)
where:
Base-Base interactions energy: -84.723
where: short stacking energy: -39.955
Base-Backbone interact. energy: -0.151
local terms energy: -50.167896
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -115.916715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.916715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.916715 (E_RNA)
where:
Base-Base interactions energy: -64.388
where: short stacking energy: -40.679
Base-Backbone interact. energy: -0.177
local terms energy: -51.351740
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -160.641294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.641294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.641294 (E_RNA)
where:
Base-Base interactions energy: -99.209
where: short stacking energy: -46.117
Base-Backbone interact. energy: -0.555
local terms energy: -60.876943
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -103.445598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.445598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.445598 (E_RNA)
where:
Base-Base interactions energy: -55.527
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.182
local terms energy: -47.736920
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -1.454
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: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -90.248919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.248919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.248919 (E_RNA)
where:
Base-Base interactions energy: -42.340
where: short stacking energy: -42.440
Base-Backbone interact. energy: -0.264
local terms energy: -47.645647
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -3.184
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -80.947046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.947046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.947046 (E_RNA)
where:
Base-Base interactions energy: -36.842
where: short stacking energy: -24.743
Base-Backbone interact. energy: -0.707
local terms energy: -43.397513
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: 1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -74.916033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.916033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.916033 (E_RNA)
where:
Base-Base interactions energy: -23.165
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.328
local terms energy: -51.423026
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -79.804622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.804622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.804622 (E_RNA)
where:
Base-Base interactions energy: -25.637
where: short stacking energy: -15.392
Base-Backbone interact. energy: -1.190
local terms energy: -52.977494
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -2.242
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: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -172.037705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.037705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.037705 (E_RNA)
where:
Base-Base interactions energy: -107.177
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.748
local terms energy: -64.112192
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -156.538771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.538771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.538771 (E_RNA)
where:
Base-Base interactions energy: -94.964
where: short stacking energy: -52.860
Base-Backbone interact. energy: 0.399
local terms energy: -61.973118
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -132.209319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.209319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.209319 (E_RNA)
where:
Base-Base interactions energy: -68.828
where: short stacking energy: -54.270
Base-Backbone interact. energy: 0.530
local terms energy: -63.911590
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -10.404
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: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -165.564142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.564142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.564142 (E_RNA)
where:
Base-Base interactions energy: -96.409
where: short stacking energy: -55.946
Base-Backbone interact. energy: -0.004
local terms energy: -69.151636
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -102.985662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.985662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.985662 (E_RNA)
where:
Base-Base interactions energy: -39.278
where: short stacking energy: -32.341
Base-Backbone interact. energy: -0.120
local terms energy: -63.587517
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -114.218393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.218393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.218393 (E_RNA)
where:
Base-Base interactions energy: -55.890
where: short stacking energy: -43.599
Base-Backbone interact. energy: -0.259
local terms energy: -58.068829
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -8.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -118.784312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.784312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.784312 (E_RNA)
where:
Base-Base interactions energy: -64.633
where: short stacking energy: -37.750
Base-Backbone interact. energy: -0.510
local terms energy: -53.641494
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -81.988066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.988066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.988066 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -22.849
Base-Backbone interact. energy: -0.259
local terms energy: -46.520220
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -81.335000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.335000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.335000 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -17.976
Base-Backbone interact. energy: 2.441
local terms energy: -49.868674
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -76.374891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.374891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.374891 (E_RNA)
where:
Base-Base interactions energy: -26.633
where: short stacking energy: -26.633
Base-Backbone interact. energy: -0.177
local terms energy: -49.564193
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -154.876863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.876863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.876863 (E_RNA)
where:
Base-Base interactions energy: -92.821
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.016
local terms energy: -62.040132
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -9.376
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -185.093901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.093901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.093901 (E_RNA)
where:
Base-Base interactions energy: -124.566
where: short stacking energy: -52.703
Base-Backbone interact. energy: 0.900
local terms energy: -61.428092
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -165.633216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.633216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.633216 (E_RNA)
where:
Base-Base interactions energy: -92.621
where: short stacking energy: -57.912
Base-Backbone interact. energy: -0.273
local terms energy: -72.738946
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -158.053596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.053596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.053596 (E_RNA)
where:
Base-Base interactions energy: -102.984
where: short stacking energy: -47.286
Base-Backbone interact. energy: -0.186
local terms energy: -54.883754
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -107.432160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.432160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.432160 (E_RNA)
where:
Base-Base interactions energy: -42.569
where: short stacking energy: -42.569
Base-Backbone interact. energy: -0.298
local terms energy: -64.565482
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -150.685978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.685978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.685978 (E_RNA)
where:
Base-Base interactions energy: -100.865
where: short stacking energy: -43.871
Base-Backbone interact. energy: -0.258
local terms energy: -49.562760
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -6.723
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -7.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -109.387148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.387148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.387148 (E_RNA)
where:
Base-Base interactions energy: -52.430
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.771
local terms energy: -56.186419
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -116.790864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.790864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.790864 (E_RNA)
where:
Base-Base interactions energy: -72.382
where: short stacking energy: -32.752
Base-Backbone interact. energy: -0.138
local terms energy: -44.270396
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -6.489
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -98.231919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.231919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.231919 (E_RNA)
where:
Base-Base interactions energy: -46.490
where: short stacking energy: -36.421
Base-Backbone interact. energy: -0.035
local terms energy: -51.707003
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -88.956757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.956757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.956757 (E_RNA)
where:
Base-Base interactions energy: -42.306
where: short stacking energy: -34.586
Base-Backbone interact. energy: -0.505
local terms energy: -46.145224
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -0.140
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: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -157.054397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.054397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.054397 (E_RNA)
where:
Base-Base interactions energy: -91.390
where: short stacking energy: -55.493
Base-Backbone interact. energy: -0.014
local terms energy: -65.650319
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -186.099623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.099623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.099623 (E_RNA)
where:
Base-Base interactions energy: -115.587
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.136
local terms energy: -70.376527
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -157.946865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.946865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.946865 (E_RNA)
where:
Base-Base interactions energy: -95.713
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.175
local terms energy: -62.059165
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -8.840
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: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -179.615049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.615049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.615049 (E_RNA)
where:
Base-Base interactions energy: -106.709
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.003
local terms energy: -72.902830
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -11.855
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: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -113.093068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.093068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.093068 (E_RNA)
where:
Base-Base interactions energy: -49.850
where: short stacking energy: -49.850
Base-Backbone interact. energy: 0.041
local terms energy: -63.283411
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -14.893
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: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -131.843343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.843343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.843343 (E_RNA)
where:
Base-Base interactions energy: -79.889
where: short stacking energy: -29.521
Base-Backbone interact. energy: -0.170
local terms energy: -51.783925
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -102.698500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.698500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.698500 (E_RNA)
where:
Base-Base interactions energy: -54.183
where: short stacking energy: -36.630
Base-Backbone interact. energy: -0.455
local terms energy: -48.059862
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -83.679304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.679304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.679304 (E_RNA)
where:
Base-Base interactions energy: -31.357
where: short stacking energy: -24.191
Base-Backbone interact. energy: -0.277
local terms energy: -52.045512
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -5.509
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: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -81.044147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.044147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.044147 (E_RNA)
where:
Base-Base interactions energy: -33.715
where: short stacking energy: -33.715
Base-Backbone interact. energy: -0.015
local terms energy: -47.314485
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -82.185589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.185589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.185589 (E_RNA)
where:
Base-Base interactions energy: -42.567
where: short stacking energy: -42.136
Base-Backbone interact. energy: -0.198
local terms energy: -39.420325
where:
bonds (distance) C4'-P energy: -3.997
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -194.507857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.507857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.507857 (E_RNA)
where:
Base-Base interactions energy: -126.149
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.289
local terms energy: -68.069568
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -169.517931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.517931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.517931 (E_RNA)
where:
Base-Base interactions energy: -105.181
where: short stacking energy: -57.502
Base-Backbone interact. energy: -0.107
local terms energy: -64.229479
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -176.002740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.002740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.002740 (E_RNA)
where:
Base-Base interactions energy: -112.789
where: short stacking energy: -57.650
Base-Backbone interact. energy: -0.247
local terms energy: -62.966645
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -10.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -154.744112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.744112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.744112 (E_RNA)
where:
Base-Base interactions energy: -101.155
where: short stacking energy: -51.389
Base-Backbone interact. energy: -0.245
local terms energy: -53.343794
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -7.760
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -115.221294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.221294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.221294 (E_RNA)
where:
Base-Base interactions energy: -59.314
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.106
local terms energy: -55.801150
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -128.998293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.998293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.998293 (E_RNA)
where:
Base-Base interactions energy: -74.907
where: short stacking energy: -40.947
Base-Backbone interact. energy: -0.958
local terms energy: -53.133937
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -98.983071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.983071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.983071 (E_RNA)
where:
Base-Base interactions energy: -46.328
where: short stacking energy: -31.068
Base-Backbone interact. energy: -0.174
local terms energy: -52.480964
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -104.351672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.351672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.351672 (E_RNA)
where:
Base-Base interactions energy: -61.808
where: short stacking energy: -33.977
Base-Backbone interact. energy: -0.085
local terms energy: -42.458006
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -87.740930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.740930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.740930 (E_RNA)
where:
Base-Base interactions energy: -32.316
where: short stacking energy: -33.116
Base-Backbone interact. energy: -0.035
local terms energy: -55.390165
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -4.281
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: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -79.579905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.579905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.579905 (E_RNA)
where:
Base-Base interactions energy: -33.952
where: short stacking energy: -30.673
Base-Backbone interact. energy: -0.040
local terms energy: -45.588228
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -7.650
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -183.856942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.856942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.856942 (E_RNA)
where:
Base-Base interactions energy: -123.219
where: short stacking energy: -45.928
Base-Backbone interact. energy: -1.429
local terms energy: -59.209616
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -176.790352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.790352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.790352 (E_RNA)
where:
Base-Base interactions energy: -108.956
where: short stacking energy: -59.864
Base-Backbone interact. energy: -0.045
local terms energy: -67.789313
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -158.288475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.288475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.288475 (E_RNA)
where:
Base-Base interactions energy: -100.473
where: short stacking energy: -53.778
Base-Backbone interact. energy: -0.003
local terms energy: -57.812871
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -141.457335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.457335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.457335 (E_RNA)
where:
Base-Base interactions energy: -90.580
where: short stacking energy: -44.457
Base-Backbone interact. energy: -0.452
local terms energy: -50.425821
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -155.632381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.632381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.632381 (E_RNA)
where:
Base-Base interactions energy: -101.680
where: short stacking energy: -58.514
Base-Backbone interact. energy: 1.559
local terms energy: -55.511558
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -8.511
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -12.465
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: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -104.007406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.007406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.007406 (E_RNA)
where:
Base-Base interactions energy: -43.897
where: short stacking energy: -43.114
Base-Backbone interact. energy: -0.374
local terms energy: -59.735816
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -12.346
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: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -131.533713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.533713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.533713 (E_RNA)
where:
Base-Base interactions energy: -80.901
where: short stacking energy: -37.612
Base-Backbone interact. energy: -0.554
local terms energy: -50.078963
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -96.012853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.012853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.012853 (E_RNA)
where:
Base-Base interactions energy: -56.606
where: short stacking energy: -27.208
Base-Backbone interact. energy: -0.032
local terms energy: -39.375064
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -2.239
tors. eta vs tors. theta energy: 1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -90.580733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.580733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.580733 (E_RNA)
where:
Base-Base interactions energy: -37.139
where: short stacking energy: -30.266
Base-Backbone interact. energy: 1.250
local terms energy: -54.691903
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -2.822
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: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -75.886617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.886617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.886617 (E_RNA)
where:
Base-Base interactions energy: -27.666
where: short stacking energy: -23.100
Base-Backbone interact. energy: -0.203
local terms energy: -48.017317
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -9.198
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: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -195.210022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.210022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.210022 (E_RNA)
where:
Base-Base interactions energy: -122.668
where: short stacking energy: -51.718
Base-Backbone interact. energy: -0.747
local terms energy: -71.794245
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -173.518330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.518330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.518330 (E_RNA)
where:
Base-Base interactions energy: -111.597
where: short stacking energy: -55.946
Base-Backbone interact. energy: -0.270
local terms energy: -61.651413
where:
bonds (distance) C4'-P energy: -5.197
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -197.406445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.406445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.406445 (E_RNA)
where:
Base-Base interactions energy: -142.380
where: short stacking energy: -64.894
Base-Backbone interact. energy: 1.269
local terms energy: -56.295935
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -10.605
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: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -141.601504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.601504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.601504 (E_RNA)
where:
Base-Base interactions energy: -82.754
where: short stacking energy: -47.429
Base-Backbone interact. energy: -0.021
local terms energy: -58.827352
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -12.791
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: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -146.472640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.472640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.472640 (E_RNA)
where:
Base-Base interactions energy: -91.732
where: short stacking energy: -33.022
Base-Backbone interact. energy: 0.385
local terms energy: -55.125643
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -149.395747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.395747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.395747 (E_RNA)
where:
Base-Base interactions energy: -79.987
where: short stacking energy: -39.956
Base-Backbone interact. energy: -0.010
local terms energy: -69.398838
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -9.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -134.040903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.040903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.040903 (E_RNA)
where:
Base-Base interactions energy: -85.200
where: short stacking energy: -48.579
Base-Backbone interact. energy: -0.733
local terms energy: -48.107404
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -126.005310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.005310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.005310 (E_RNA)
where:
Base-Base interactions energy: -81.110
where: short stacking energy: -37.025
Base-Backbone interact. energy: -0.278
local terms energy: -44.616872
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -8.603
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -6.961
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: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -82.687101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.687101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.687101 (E_RNA)
where:
Base-Base interactions energy: -23.123
where: short stacking energy: -23.423
Base-Backbone interact. energy: -0.938
local terms energy: -58.625912
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -71.815636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.815636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.815636 (E_RNA)
where:
Base-Base interactions energy: -26.585
where: short stacking energy: -14.492
Base-Backbone interact. energy: -0.989
local terms energy: -44.241569
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -9.156
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: 4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -188.186125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.186125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.186125 (E_RNA)
where:
Base-Base interactions energy: -120.912
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.165
local terms energy: -67.108788
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -15.198
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: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -197.679705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.679705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.679705 (E_RNA)
where:
Base-Base interactions energy: -125.612
where: short stacking energy: -59.927
Base-Backbone interact. energy: 0.199
local terms energy: -72.266797
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -15.747
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: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -170.611065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.611065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.611065 (E_RNA)
where:
Base-Base interactions energy: -100.880
where: short stacking energy: -57.434
Base-Backbone interact. energy: -0.548
local terms energy: -69.182684
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -157.659450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.659450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.659450 (E_RNA)
where:
Base-Base interactions energy: -97.315
where: short stacking energy: -47.648
Base-Backbone interact. energy: -0.142
local terms energy: -60.202085
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -12.133
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: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -144.822823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.822823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.822823 (E_RNA)
where:
Base-Base interactions energy: -85.235
where: short stacking energy: -49.186
Base-Backbone interact. energy: -0.025
local terms energy: -59.562637
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -154.090906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.090906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.090906 (E_RNA)
where:
Base-Base interactions energy: -101.633
where: short stacking energy: -44.923
Base-Backbone interact. energy: 1.241
local terms energy: -53.698492
where:
bonds (distance) C4'-P energy: -6.932
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -140.605641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.605641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.605641 (E_RNA)
where:
Base-Base interactions energy: -85.669
where: short stacking energy: -50.212
Base-Backbone interact. energy: -0.073
local terms energy: -54.863135
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -134.516792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.516792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.516792 (E_RNA)
where:
Base-Base interactions energy: -75.761
where: short stacking energy: -38.086
Base-Backbone interact. energy: -0.200
local terms energy: -58.556638
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -80.764667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.764667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.764667 (E_RNA)
where:
Base-Base interactions energy: -31.594
where: short stacking energy: -28.902
Base-Backbone interact. energy: -0.142
local terms energy: -49.028541
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -80.167146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.167146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.167146 (E_RNA)
where:
Base-Base interactions energy: -31.100
where: short stacking energy: -23.932
Base-Backbone interact. energy: -0.020
local terms energy: -49.047207
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -4.333
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: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -206.152318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.152318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.152318 (E_RNA)
where:
Base-Base interactions energy: -134.464
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.031
local terms energy: -71.657378
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -173.596773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.596773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.596773 (E_RNA)
where:
Base-Base interactions energy: -106.522
where: short stacking energy: -61.082
Base-Backbone interact. energy: -0.576
local terms energy: -66.499134
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -184.756272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.756272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.756272 (E_RNA)
where:
Base-Base interactions energy: -121.452
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.389
local terms energy: -62.915347
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -175.469749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.469749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.469749 (E_RNA)
where:
Base-Base interactions energy: -103.430
where: short stacking energy: -56.628
Base-Backbone interact. energy: -0.158
local terms energy: -71.881802
where:
bonds (distance) C4'-P energy: -8.368
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -149.124499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.124499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.124499 (E_RNA)
where:
Base-Base interactions energy: -94.557
where: short stacking energy: -42.839
Base-Backbone interact. energy: -0.244
local terms energy: -54.324424
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -151.260998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.260998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.260998 (E_RNA)
where:
Base-Base interactions energy: -100.388
where: short stacking energy: -46.286
Base-Backbone interact. energy: -0.390
local terms energy: -50.482501
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -170.230079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.230079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.230079 (E_RNA)
where:
Base-Base interactions energy: -107.198
where: short stacking energy: -49.764
Base-Backbone interact. energy: -0.534
local terms energy: -62.498461
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -13.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -126.882894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.882894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.882894 (E_RNA)
where:
Base-Base interactions energy: -80.508
where: short stacking energy: -50.028
Base-Backbone interact. energy: 0.592
local terms energy: -46.967007
where:
bonds (distance) C4'-P energy: -7.467
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -9.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -80.839856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.839856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.839856 (E_RNA)
where:
Base-Base interactions energy: -30.996
where: short stacking energy: -30.996
Base-Backbone interact. energy: -0.035
local terms energy: -49.808480
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -6.127
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -75.416417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.416417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.416417 (E_RNA)
where:
Base-Base interactions energy: -29.453
where: short stacking energy: -29.453
Base-Backbone interact. energy: -0.020
local terms energy: -45.942630
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -202.250594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.250594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.250594 (E_RNA)
where:
Base-Base interactions energy: -126.678
where: short stacking energy: -66.864
Base-Backbone interact. energy: -0.256
local terms energy: -75.316970
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -184.262257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.262257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.262257 (E_RNA)
where:
Base-Base interactions energy: -122.468
where: short stacking energy: -55.878
Base-Backbone interact. energy: -0.345
local terms energy: -61.449398
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -7.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -160.563891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.563891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.563891 (E_RNA)
where:
Base-Base interactions energy: -101.329
where: short stacking energy: -51.175
Base-Backbone interact. energy: -0.047
local terms energy: -59.188320
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -9.740
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: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -157.777293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.777293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.777293 (E_RNA)
where:
Base-Base interactions energy: -98.138
where: short stacking energy: -46.982
Base-Backbone interact. energy: -0.196
local terms energy: -59.443806
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -10.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -173.038061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.038061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.038061 (E_RNA)
where:
Base-Base interactions energy: -108.877
where: short stacking energy: -49.507
Base-Backbone interact. energy: 0.435
local terms energy: -64.595576
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -183.984972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.984972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.984972 (E_RNA)
where:
Base-Base interactions energy: -110.622
where: short stacking energy: -54.485
Base-Backbone interact. energy: -0.005
local terms energy: -73.358853
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -138.626801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.626801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.626801 (E_RNA)
where:
Base-Base interactions energy: -91.908
where: short stacking energy: -47.725
Base-Backbone interact. energy: -0.689
local terms energy: -46.030485
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -125.956898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.956898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.956898 (E_RNA)
where:
Base-Base interactions energy: -80.764
where: short stacking energy: -44.829
Base-Backbone interact. energy: -0.030
local terms energy: -45.162987
where:
bonds (distance) C4'-P energy: -2.837
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -94.326180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.326180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.326180 (E_RNA)
where:
Base-Base interactions energy: -53.969
where: short stacking energy: -31.238
Base-Backbone interact. energy: 0.360
local terms energy: -40.716779
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -7.353
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: 1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -73.269640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.269640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.269640 (E_RNA)
where:
Base-Base interactions energy: -25.306
where: short stacking energy: -25.016
Base-Backbone interact. energy: -0.010
local terms energy: -47.953167
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -212.293849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.293849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.293849 (E_RNA)
where:
Base-Base interactions energy: -151.256
where: short stacking energy: -55.610
Base-Backbone interact. energy: 1.172
local terms energy: -62.210273
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -193.792825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.792825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.792825 (E_RNA)
where:
Base-Base interactions energy: -130.804
where: short stacking energy: -59.628
Base-Backbone interact. energy: -0.132
local terms energy: -62.856209
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -157.166785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.166785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.166785 (E_RNA)
where:
Base-Base interactions energy: -90.532
where: short stacking energy: -53.964
Base-Backbone interact. energy: -0.062
local terms energy: -66.572786
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -169.192197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.192197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.192197 (E_RNA)
where:
Base-Base interactions energy: -115.257
where: short stacking energy: -54.541
Base-Backbone interact. energy: -0.592
local terms energy: -53.342506
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -8.788
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: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -186.248677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.248677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.248677 (E_RNA)
where:
Base-Base interactions energy: -124.559
where: short stacking energy: -57.695
Base-Backbone interact. energy: -0.542
local terms energy: -61.148076
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -160.584567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.584567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.584567 (E_RNA)
where:
Base-Base interactions energy: -102.329
where: short stacking energy: -60.524
Base-Backbone interact. energy: -0.006
local terms energy: -58.249300
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -133.738877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.738877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.738877 (E_RNA)
where:
Base-Base interactions energy: -82.229
where: short stacking energy: -45.289
Base-Backbone interact. energy: -1.024
local terms energy: -50.486124
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -130.723638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.723638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.723638 (E_RNA)
where:
Base-Base interactions energy: -72.137
where: short stacking energy: -29.799
Base-Backbone interact. energy: -0.269
local terms energy: -58.316997
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -75.186287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.186287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.186287 (E_RNA)
where:
Base-Base interactions energy: -23.358
where: short stacking energy: -23.358
Base-Backbone interact. energy: -0.137
local terms energy: -51.690703
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -2.280
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: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -71.242787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.242787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.242787 (E_RNA)
where:
Base-Base interactions energy: -23.591
where: short stacking energy: -11.536
Base-Backbone interact. energy: -0.627
local terms energy: -47.025347
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: 6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -217.834511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.834511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.834511 (E_RNA)
where:
Base-Base interactions energy: -149.681
where: short stacking energy: -62.680
Base-Backbone interact. energy: -0.046
local terms energy: -68.108113
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -210.702746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.702746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.702746 (E_RNA)
where:
Base-Base interactions energy: -143.302
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.119
local terms energy: -67.281150
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -11.106
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: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -158.067288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.067288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.067288 (E_RNA)
where:
Base-Base interactions energy: -97.292
where: short stacking energy: -60.264
Base-Backbone interact. energy: -1.249
local terms energy: -59.526386
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -10.483
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: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -202.581888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.581888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.581888 (E_RNA)
where:
Base-Base interactions energy: -139.605
where: short stacking energy: -56.041
Base-Backbone interact. energy: 0.028
local terms energy: -63.004797
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -13.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -130.118233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.118233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.118233 (E_RNA)
where:
Base-Base interactions energy: -82.437
where: short stacking energy: -38.924
Base-Backbone interact. energy: -0.368
local terms energy: -47.313537
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -140.911906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.911906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.911906 (E_RNA)
where:
Base-Base interactions energy: -77.741
where: short stacking energy: -40.932
Base-Backbone interact. energy: -0.051
local terms energy: -63.119651
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -11.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -147.683966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.683966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.683966 (E_RNA)
where:
Base-Base interactions energy: -85.532
where: short stacking energy: -48.275
Base-Backbone interact. energy: -1.099
local terms energy: -61.053591
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -123.111614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.111614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.111614 (E_RNA)
where:
Base-Base interactions energy: -70.879
where: short stacking energy: -35.544
Base-Backbone interact. energy: -0.236
local terms energy: -51.996576
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -75.888010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.888010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.888010 (E_RNA)
where:
Base-Base interactions energy: -40.223
where: short stacking energy: -38.107
Base-Backbone interact. energy: 0.195
local terms energy: -35.860595
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -4.755
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -3.889
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: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -74.147704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.147704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.147704 (E_RNA)
where:
Base-Base interactions energy: -35.511
where: short stacking energy: -26.372
Base-Backbone interact. energy: -0.306
local terms energy: -38.330677
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: 2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -221.163239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.163239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.163239 (E_RNA)
where:
Base-Base interactions energy: -156.697
where: short stacking energy: -60.113
Base-Backbone interact. energy: 0.479
local terms energy: -64.945077
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -204.958417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.958417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.958417 (E_RNA)
where:
Base-Base interactions energy: -131.865
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.348
local terms energy: -72.744694
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -203.468993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.468993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.468993 (E_RNA)
where:
Base-Base interactions energy: -144.766
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.508
local terms energy: -58.194802
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -13.321
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: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -143.409866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.409866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.409866 (E_RNA)
where:
Base-Base interactions energy: -80.352
where: short stacking energy: -48.833
Base-Backbone interact. energy: -0.046
local terms energy: -63.011163
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -130.392278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.392278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.392278 (E_RNA)
where:
Base-Base interactions energy: -73.757
where: short stacking energy: -41.363
Base-Backbone interact. energy: -0.208
local terms energy: -56.426926
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -142.593661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.593661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.593661 (E_RNA)
where:
Base-Base interactions energy: -83.834
where: short stacking energy: -47.146
Base-Backbone interact. energy: -0.639
local terms energy: -58.120661
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -134.133056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.133056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.133056 (E_RNA)
where:
Base-Base interactions energy: -76.405
where: short stacking energy: -41.382
Base-Backbone interact. energy: -0.020
local terms energy: -57.707582
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -142.684199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.684199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.684199 (E_RNA)
where:
Base-Base interactions energy: -88.392
where: short stacking energy: -51.134
Base-Backbone interact. energy: 0.441
local terms energy: -54.733466
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -8.129
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -12.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -85.449403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.449403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.449403 (E_RNA)
where:
Base-Base interactions energy: -31.665
where: short stacking energy: -31.665
Base-Backbone interact. energy: -0.091
local terms energy: -53.693807
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -84.679374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.679374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.679374 (E_RNA)
where:
Base-Base interactions energy: -33.116
where: short stacking energy: -30.238
Base-Backbone interact. energy: -0.046
local terms energy: -51.517455
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -8.139
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -227.091074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.091074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.091074 (E_RNA)
where:
Base-Base interactions energy: -160.065
where: short stacking energy: -50.731
Base-Backbone interact. energy: -0.361
local terms energy: -66.665378
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -12.601
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: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -203.842025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.842025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.842025 (E_RNA)
where:
Base-Base interactions energy: -130.092
where: short stacking energy: -55.712
Base-Backbone interact. energy: 0.380
local terms energy: -74.130108
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -181.187256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.187256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.187256 (E_RNA)
where:
Base-Base interactions energy: -115.298
where: short stacking energy: -48.049
Base-Backbone interact. energy: -0.257
local terms energy: -65.631619
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -149.970895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.970895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.970895 (E_RNA)
where:
Base-Base interactions energy: -87.569
where: short stacking energy: -45.345
Base-Backbone interact. energy: -0.061
local terms energy: -62.340696
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -4.344
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -131.245406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.245406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.245406 (E_RNA)
where:
Base-Base interactions energy: -83.041
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.525
local terms energy: -47.679200
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -7.676
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -7.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -158.327844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.327844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.327844 (E_RNA)
where:
Base-Base interactions energy: -102.169
where: short stacking energy: -60.447
Base-Backbone interact. energy: -0.260
local terms energy: -55.898496
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -9.606
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -2.559
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: 7, replica: 2
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -134.233845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.233845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.233845 (E_RNA)
where:
Base-Base interactions energy: -76.928
where: short stacking energy: -43.507
Base-Backbone interact. energy: -0.848
local terms energy: -56.458083
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -4.456
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: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -144.385850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.385850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.385850 (E_RNA)
where:
Base-Base interactions energy: -88.366
where: short stacking energy: -46.035
Base-Backbone interact. energy: -0.445
local terms energy: -55.574163
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -5.659
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: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -116.122221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.122221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.122221 (E_RNA)
where:
Base-Base interactions energy: -65.576
where: short stacking energy: -36.256
Base-Backbone interact. energy: -0.090
local terms energy: -50.455722
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -81.678353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.678353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.678353 (E_RNA)
where:
Base-Base interactions energy: -28.253
where: short stacking energy: -28.253
Base-Backbone interact. energy: -0.245
local terms energy: -53.179674
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -215.193147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.193147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.193147 (E_RNA)
where:
Base-Base interactions energy: -145.645
where: short stacking energy: -46.036
Base-Backbone interact. energy: -0.767
local terms energy: -68.781079
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -214.359137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.359137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.359137 (E_RNA)
where:
Base-Base interactions energy: -139.879
where: short stacking energy: -52.961
Base-Backbone interact. energy: 0.175
local terms energy: -74.654836
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -13.247
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: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -180.203546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.203546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.203546 (E_RNA)
where:
Base-Base interactions energy: -116.064
where: short stacking energy: -50.181
Base-Backbone interact. energy: 0.173
local terms energy: -64.311623
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -160.608355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.608355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.608355 (E_RNA)
where:
Base-Base interactions energy: -99.479
where: short stacking energy: -44.428
Base-Backbone interact. energy: -0.238
local terms energy: -60.891468
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -6.040
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: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -169.359275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.359275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.359275 (E_RNA)
where:
Base-Base interactions energy: -102.526
where: short stacking energy: -61.987
Base-Backbone interact. energy: -0.103
local terms energy: -66.729969
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -11.138
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: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -134.499183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.499183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.499183 (E_RNA)
where:
Base-Base interactions energy: -71.803
where: short stacking energy: -42.642
Base-Backbone interact. energy: -0.022
local terms energy: -62.674333
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -8.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -138.404731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.404731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.404731 (E_RNA)
where:
Base-Base interactions energy: -82.020
where: short stacking energy: -54.169
Base-Backbone interact. energy: 0.754
local terms energy: -57.138906
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -15.297
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: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -127.241921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.241921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.241921 (E_RNA)
where:
Base-Base interactions energy: -75.414
where: short stacking energy: -42.044
Base-Backbone interact. energy: -0.290
local terms energy: -51.537452
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -84.115055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.115055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.115055 (E_RNA)
where:
Base-Base interactions energy: -44.092
where: short stacking energy: -33.524
Base-Backbone interact. energy: -0.290
local terms energy: -39.733142
where:
bonds (distance) C4'-P energy: -4.793
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -7.707
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: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -83.535633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.535633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.535633 (E_RNA)
where:
Base-Base interactions energy: -31.328
where: short stacking energy: -29.933
Base-Backbone interact. energy: -0.436
local terms energy: -51.772322
where:
bonds (distance) C4'-P energy: -8.719
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -212.937874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.937874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.937874 (E_RNA)
where:
Base-Base interactions energy: -138.004
where: short stacking energy: -52.496
Base-Backbone interact. energy: -0.136
local terms energy: -74.797797
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -222.372439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.372439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.372439 (E_RNA)
where:
Base-Base interactions energy: -157.540
where: short stacking energy: -53.870
Base-Backbone interact. energy: 0.892
local terms energy: -65.723956
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -10.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -186.698448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.698448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.698448 (E_RNA)
where:
Base-Base interactions energy: -118.162
where: short stacking energy: -57.868
Base-Backbone interact. energy: 0.520
local terms energy: -69.055987
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -14.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -165.150508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.150508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.150508 (E_RNA)
where:
Base-Base interactions energy: -100.575
where: short stacking energy: -56.466
Base-Backbone interact. energy: 0.445
local terms energy: -65.020818
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -14.130
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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -156.257231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.257231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.257231 (E_RNA)
where:
Base-Base interactions energy: -98.967
where: short stacking energy: -37.789
Base-Backbone interact. energy: -0.124
local terms energy: -57.165669
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -10.149
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -7.699
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: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -143.396283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.396283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.396283 (E_RNA)
where:
Base-Base interactions energy: -85.999
where: short stacking energy: -48.236
Base-Backbone interact. energy: -0.094
local terms energy: -57.302479
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -9.142
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: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -132.148329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.148329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.148329 (E_RNA)
where:
Base-Base interactions energy: -75.740
where: short stacking energy: -38.721
Base-Backbone interact. energy: -0.073
local terms energy: -56.336163
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -7.467
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -95.634631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.634631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.634631 (E_RNA)
where:
Base-Base interactions energy: -36.866
where: short stacking energy: -35.297
Base-Backbone interact. energy: -0.221
local terms energy: -58.548600
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -95.214337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.214337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.214337 (E_RNA)
where:
Base-Base interactions energy: -46.527
where: short stacking energy: -18.949
Base-Backbone interact. energy: -0.138
local terms energy: -48.549714
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: 2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -73.850886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.850886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.850886 (E_RNA)
where:
Base-Base interactions energy: -30.641
where: short stacking energy: -30.142
Base-Backbone interact. energy: -0.516
local terms energy: -42.693938
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -9.201
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: 2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -221.970702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.970702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.970702 (E_RNA)
where:
Base-Base interactions energy: -155.996
where: short stacking energy: -53.809
Base-Backbone interact. energy: -1.028
local terms energy: -64.946116
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -202.180897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.180897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.180897 (E_RNA)
where:
Base-Base interactions energy: -137.546
where: short stacking energy: -55.610
Base-Backbone interact. energy: -0.693
local terms energy: -63.942336
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -198.605838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.605838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.605838 (E_RNA)
where:
Base-Base interactions energy: -133.928
where: short stacking energy: -63.112
Base-Backbone interact. energy: -0.153
local terms energy: -64.525068
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -186.349946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.349946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.349946 (E_RNA)
where:
Base-Base interactions energy: -117.014
where: short stacking energy: -58.784
Base-Backbone interact. energy: -0.268
local terms energy: -69.068037
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -154.472203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.472203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.472203 (E_RNA)
where:
Base-Base interactions energy: -92.013
where: short stacking energy: -52.019
Base-Backbone interact. energy: -0.130
local terms energy: -62.329050
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -146.817394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.817394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.817394 (E_RNA)
where:
Base-Base interactions energy: -87.734
where: short stacking energy: -37.173
Base-Backbone interact. energy: -0.205
local terms energy: -58.878220
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -130.959720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.959720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.959720 (E_RNA)
where:
Base-Base interactions energy: -71.586
where: short stacking energy: -37.534
Base-Backbone interact. energy: -0.212
local terms energy: -59.161464
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -89.534282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.534282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.534282 (E_RNA)
where:
Base-Base interactions energy: -32.617
where: short stacking energy: -31.405
Base-Backbone interact. energy: -0.133
local terms energy: -56.784368
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -7.191
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: 4
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -79.991035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.991035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.991035 (E_RNA)
where:
Base-Base interactions energy: -31.511
where: short stacking energy: -29.563
Base-Backbone interact. energy: 0.879
local terms energy: -49.358531
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -5.179
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: 10, replica: 2
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -74.170275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.170275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.170275 (E_RNA)
where:
Base-Base interactions energy: -36.031
where: short stacking energy: -32.073
Base-Backbone interact. energy: -0.327
local terms energy: -37.811386
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -0.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -223.142986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.142986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.142986 (E_RNA)
where:
Base-Base interactions energy: -154.662
where: short stacking energy: -64.164
Base-Backbone interact. energy: -0.116
local terms energy: -68.364182
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -216.200061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.200061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.200061 (E_RNA)
where:
Base-Base interactions energy: -152.472
where: short stacking energy: -52.068
Base-Backbone interact. energy: 0.066
local terms energy: -63.793627
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -8.426
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: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -209.420218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.420218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.420218 (E_RNA)
where:
Base-Base interactions energy: -148.887
where: short stacking energy: -54.621
Base-Backbone interact. energy: -0.421
local terms energy: -60.112720
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -159.348506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.348506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.348506 (E_RNA)
where:
Base-Base interactions energy: -89.273
where: short stacking energy: -57.104
Base-Backbone interact. energy: -0.096
local terms energy: -69.978964
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -170.288999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.288999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.288999 (E_RNA)
where:
Base-Base interactions energy: -104.764
where: short stacking energy: -49.793
Base-Backbone interact. energy: 1.716
local terms energy: -67.241248
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -9.800
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: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -153.347762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.347762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.347762 (E_RNA)
where:
Base-Base interactions energy: -94.180
where: short stacking energy: -50.984
Base-Backbone interact. energy: -0.156
local terms energy: -59.011051
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -136.518143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.518143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.518143 (E_RNA)
where:
Base-Base interactions energy: -81.698
where: short stacking energy: -48.665
Base-Backbone interact. energy: 0.274
local terms energy: -55.094126
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -9.046
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: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -88.090970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.090970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.090970 (E_RNA)
where:
Base-Base interactions energy: -36.873
where: short stacking energy: -34.409
Base-Backbone interact. energy: 0.695
local terms energy: -51.913007
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -94.099204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.099204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.099204 (E_RNA)
where:
Base-Base interactions energy: -38.684
where: short stacking energy: -38.684
Base-Backbone interact. energy: -0.012
local terms energy: -55.402948
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -78.260989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.260989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.260989 (E_RNA)
where:
Base-Base interactions energy: -23.465
where: short stacking energy: -17.707
Base-Backbone interact. energy: -0.160
local terms energy: -54.636568
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -223.062249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.062249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.062249 (E_RNA)
where:
Base-Base interactions energy: -159.403
where: short stacking energy: -55.937
Base-Backbone interact. energy: -1.294
local terms energy: -62.364951
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -10.398
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: 2, replica: 10
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -213.248475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.248475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.248475 (E_RNA)
where:
Base-Base interactions energy: -148.937
where: short stacking energy: -54.999
Base-Backbone interact. energy: -0.378
local terms energy: -63.933830
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -151.320648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.320648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.320648 (E_RNA)
where:
Base-Base interactions energy: -82.018
where: short stacking energy: -53.733
Base-Backbone interact. energy: -0.385
local terms energy: -68.917205
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -12.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -186.322309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.322309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.322309 (E_RNA)
where:
Base-Base interactions energy: -119.296
where: short stacking energy: -66.209
Base-Backbone interact. energy: -0.135
local terms energy: -66.890948
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -165.428822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.428822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.428822 (E_RNA)
where:
Base-Base interactions energy: -95.678
where: short stacking energy: -49.418
Base-Backbone interact. energy: -0.020
local terms energy: -69.730583
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -11.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -142.144863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.144863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.144863 (E_RNA)
where:
Base-Base interactions energy: -82.705
where: short stacking energy: -42.902
Base-Backbone interact. energy: -0.096
local terms energy: -59.343326
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -134.901312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.901312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.901312 (E_RNA)
where:
Base-Base interactions energy: -71.807
where: short stacking energy: -43.436
Base-Backbone interact. energy: 0.699
local terms energy: -63.793771
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -10.028
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: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -83.756741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.756741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.756741 (E_RNA)
where:
Base-Base interactions energy: -34.356
where: short stacking energy: -31.660
Base-Backbone interact. energy: -0.176
local terms energy: -49.224655
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -7.702
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -80.951826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951826 (E_RNA)
where:
Base-Base interactions energy: -33.912
where: short stacking energy: -27.727
Base-Backbone interact. energy: -0.086
local terms energy: -46.953735
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -80.963086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.963086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.963086 (E_RNA)
where:
Base-Base interactions energy: -31.191
where: short stacking energy: -26.030
Base-Backbone interact. energy: 0.806
local terms energy: -50.578744
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -6.103
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: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -223.409978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.409978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.409978 (E_RNA)
where:
Base-Base interactions energy: -148.909
where: short stacking energy: -57.054
Base-Backbone interact. energy: -0.024
local terms energy: -74.476769
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -10.796
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: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -215.040484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.040484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.040484 (E_RNA)
where:
Base-Base interactions energy: -147.437
where: short stacking energy: -68.801
Base-Backbone interact. energy: -0.469
local terms energy: -67.134524
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -158.559190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.559190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.559190 (E_RNA)
where:
Base-Base interactions energy: -103.161
where: short stacking energy: -54.054
Base-Backbone interact. energy: -0.338
local terms energy: -55.060459
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -187.906071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.906071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.906071 (E_RNA)
where:
Base-Base interactions energy: -121.857
where: short stacking energy: -49.856
Base-Backbone interact. energy: -0.260
local terms energy: -65.788627
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -10.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -168.322283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.322283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.322283 (E_RNA)
where:
Base-Base interactions energy: -106.215
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.220
local terms energy: -61.886959
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -13.431
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: 25
Temperature: 1.150000
Total energy: -145.360120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.360120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.360120 (E_RNA)
where:
Base-Base interactions energy: -83.338
where: short stacking energy: -46.450
Base-Backbone interact. energy: -0.769
local terms energy: -61.253396
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -10.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -132.032654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.032654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.032654 (E_RNA)
where:
Base-Base interactions energy: -70.759
where: short stacking energy: -39.389
Base-Backbone interact. energy: -0.002
local terms energy: -61.271263
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -9.505
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: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -90.973058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.973058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.973058 (E_RNA)
where:
Base-Base interactions energy: -35.943
where: short stacking energy: -34.853
Base-Backbone interact. energy: -0.112
local terms energy: -54.918329
where:
bonds (distance) C4'-P energy: -8.613
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -9.672
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: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -76.159953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.159953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.159953 (E_RNA)
where:
Base-Base interactions energy: -27.197
where: short stacking energy: -23.318
Base-Backbone interact. energy: -0.005
local terms energy: -48.958187
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -4.906
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -6.466
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: 25
Temperature: 1.350000
Total energy: -83.216497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.216497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.216497 (E_RNA)
where:
Base-Base interactions energy: -47.272
where: short stacking energy: -38.851
Base-Backbone interact. energy: 1.118
local terms energy: -37.062141
where:
bonds (distance) C4'-P energy: -6.966
bonds (distance) P-C4' energy: -5.683
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -10.556
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: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -224.588610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.588610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.588610 (E_RNA)
where:
Base-Base interactions energy: -155.256
where: short stacking energy: -60.617
Base-Backbone interact. energy: -0.093
local terms energy: -69.239417
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -221.194833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.194833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.194833 (E_RNA)
where:
Base-Base interactions energy: -149.002
where: short stacking energy: -57.657
Base-Backbone interact. energy: 0.428
local terms energy: -72.620923
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -207.040159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.040159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.040159 (E_RNA)
where:
Base-Base interactions energy: -139.038
where: short stacking energy: -54.176
Base-Backbone interact. energy: 0.667
local terms energy: -68.669693
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -146.419924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.419924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.419924 (E_RNA)
where:
Base-Base interactions energy: -88.835
where: short stacking energy: -46.407
Base-Backbone interact. energy: -0.045
local terms energy: -57.540224
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -12.314
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: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -149.623313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.623313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.623313 (E_RNA)
where:
Base-Base interactions energy: -95.019
where: short stacking energy: -37.413
Base-Backbone interact. energy: -0.883
local terms energy: -53.720958
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -1.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -148.911359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.911359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.911359 (E_RNA)
where:
Base-Base interactions energy: -87.069
where: short stacking energy: -43.853
Base-Backbone interact. energy: 1.930
local terms energy: -63.772360
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -10.617
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: 7, replica: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -139.033606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.033606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.033606 (E_RNA)
where:
Base-Base interactions energy: -81.017
where: short stacking energy: -42.926
Base-Backbone interact. energy: -0.016
local terms energy: -58.001003
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -94.365075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.365075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.365075 (E_RNA)
where:
Base-Base interactions energy: -35.416
where: short stacking energy: -35.416
Base-Backbone interact. energy: -0.142
local terms energy: -58.807031
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -83.999916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.999916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.999916 (E_RNA)
where:
Base-Base interactions energy: -30.864
where: short stacking energy: -20.830
Base-Backbone interact. energy: -0.246
local terms energy: -52.889216
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -79.925330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.925330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.925330 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -34.945
Base-Backbone interact. energy: 0.821
local terms energy: -45.342255
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -5.272
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: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -231.441447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.441447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.441447 (E_RNA)
where:
Base-Base interactions energy: -161.475
where: short stacking energy: -68.307
Base-Backbone interact. energy: -0.454
local terms energy: -69.513023
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -209.756589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.756589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.756589 (E_RNA)
where:
Base-Base interactions energy: -136.530
where: short stacking energy: -54.839
Base-Backbone interact. energy: -0.104
local terms energy: -73.122667
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -9.236
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: 3, replica: 8
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -202.705380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.705380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.705380 (E_RNA)
where:
Base-Base interactions energy: -130.487
where: short stacking energy: -64.871
Base-Backbone interact. energy: -0.160
local terms energy: -72.058776
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -162.986916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.986916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.986916 (E_RNA)
where:
Base-Base interactions energy: -103.909
where: short stacking energy: -62.677
Base-Backbone interact. energy: 1.227
local terms energy: -60.304908
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -153.916167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.916167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.916167 (E_RNA)
where:
Base-Base interactions energy: -90.222
where: short stacking energy: -39.037
Base-Backbone interact. energy: -0.897
local terms energy: -62.797193
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -149.799285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.799285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.799285 (E_RNA)
where:
Base-Base interactions energy: -83.868
where: short stacking energy: -42.594
Base-Backbone interact. energy: -0.006
local terms energy: -65.924896
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -143.029403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.029403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.029403 (E_RNA)
where:
Base-Base interactions energy: -82.564
where: short stacking energy: -46.378
Base-Backbone interact. energy: -0.426
local terms energy: -60.039312
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -99.758341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.758341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.758341 (E_RNA)
where:
Base-Base interactions energy: -45.054
where: short stacking energy: -45.054
Base-Backbone interact. energy: -0.238
local terms energy: -54.465915
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -5.292
tors. eta vs tors. theta energy: -8.834
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: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -87.469442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.469442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.469442 (E_RNA)
where:
Base-Base interactions energy: -40.523
where: short stacking energy: -34.374
Base-Backbone interact. energy: -0.332
local terms energy: -46.614410
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -6.936
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -7.277
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: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -87.809263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.809263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.809263 (E_RNA)
where:
Base-Base interactions energy: -33.120
where: short stacking energy: -33.220
Base-Backbone interact. energy: 0.285
local terms energy: -54.973451
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -229.377145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.377145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.377145 (E_RNA)
where:
Base-Base interactions energy: -157.257
where: short stacking energy: -51.109
Base-Backbone interact. energy: -0.177
local terms energy: -71.942506
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -222.457961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.457961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.457961 (E_RNA)
where:
Base-Base interactions energy: -160.645
where: short stacking energy: -59.516
Base-Backbone interact. energy: 0.135
local terms energy: -61.948596
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -206.878402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.878402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.878402 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -64.931
Base-Backbone interact. energy: -0.109
local terms energy: -64.949239
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -14.562
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: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -149.829167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.829167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.829167 (E_RNA)
where:
Base-Base interactions energy: -94.033
where: short stacking energy: -49.425
Base-Backbone interact. energy: -0.756
local terms energy: -55.040477
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -2.394
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -153.131031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.131031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.131031 (E_RNA)
where:
Base-Base interactions energy: -88.144
where: short stacking energy: -57.452
Base-Backbone interact. energy: -0.091
local terms energy: -64.896278
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -127.911314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.911314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.911314 (E_RNA)
where:
Base-Base interactions energy: -72.279
where: short stacking energy: -41.715
Base-Backbone interact. energy: -0.122
local terms energy: -55.510434
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -136.659788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.659788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.659788 (E_RNA)
where:
Base-Base interactions energy: -73.555
where: short stacking energy: -43.882
Base-Backbone interact. energy: -0.138
local terms energy: -62.966292
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -93.689705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.689705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.689705 (E_RNA)
where:
Base-Base interactions energy: -43.655
where: short stacking energy: -30.743
Base-Backbone interact. energy: -0.280
local terms energy: -49.755223
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -3.923
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: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -81.778137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.778137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.778137 (E_RNA)
where:
Base-Base interactions energy: -35.881
where: short stacking energy: -31.045
Base-Backbone interact. energy: 0.379
local terms energy: -46.276225
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -83.618181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.618181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.618181 (E_RNA)
where:
Base-Base interactions energy: -31.132
where: short stacking energy: -27.373
Base-Backbone interact. energy: -0.915
local terms energy: -51.570590
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -4.909
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: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -227.123825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.123825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.123825 (E_RNA)
where:
Base-Base interactions energy: -163.503
where: short stacking energy: -56.224
Base-Backbone interact. energy: -0.659
local terms energy: -62.962389
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -221.128552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.128552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.128552 (E_RNA)
where:
Base-Base interactions energy: -157.211
where: short stacking energy: -62.723
Base-Backbone interact. energy: -0.618
local terms energy: -63.299102
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -17.067
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: 3, replica: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -193.463264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.463264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.463264 (E_RNA)
where:
Base-Base interactions energy: -123.571
where: short stacking energy: -58.644
Base-Backbone interact. energy: -0.042
local terms energy: -69.850004
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -8.746
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: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -153.617752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.617752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.617752 (E_RNA)
where:
Base-Base interactions energy: -95.173
where: short stacking energy: -34.662
Base-Backbone interact. energy: -0.469
local terms energy: -57.976322
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -158.660182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.660182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.660182 (E_RNA)
where:
Base-Base interactions energy: -89.498
where: short stacking energy: -52.761
Base-Backbone interact. energy: -0.018
local terms energy: -69.144086
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -14.148
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: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -146.707355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.707355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.707355 (E_RNA)
where:
Base-Base interactions energy: -85.963
where: short stacking energy: -31.044
Base-Backbone interact. energy: -0.142
local terms energy: -60.602422
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -129.983762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.983762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.983762 (E_RNA)
where:
Base-Base interactions energy: -79.001
where: short stacking energy: -30.808
Base-Backbone interact. energy: 0.185
local terms energy: -51.168269
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -81.824795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.824795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.824795 (E_RNA)
where:
Base-Base interactions energy: -32.583
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.121
local terms energy: -49.120455
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -6.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -102.433397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.433397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.433397 (E_RNA)
where:
Base-Base interactions energy: -58.068
where: short stacking energy: -21.225
Base-Backbone interact. energy: -0.281
local terms energy: -44.084268
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: 4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -82.269807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.269807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.269807 (E_RNA)
where:
Base-Base interactions energy: -32.602
where: short stacking energy: -23.693
Base-Backbone interact. energy: 0.485
local terms energy: -50.152608
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -6.429
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: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -226.086695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.086695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.086695 (E_RNA)
where:
Base-Base interactions energy: -152.852
where: short stacking energy: -61.210
Base-Backbone interact. energy: -1.959
local terms energy: -71.276199
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -15.536
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: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -223.439006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.439006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.439006 (E_RNA)
where:
Base-Base interactions energy: -156.672
where: short stacking energy: -48.477
Base-Backbone interact. energy: -0.329
local terms energy: -66.438174
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -8.518
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: 8
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -202.662975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.662975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.662975 (E_RNA)
where:
Base-Base interactions energy: -136.293
where: short stacking energy: -55.819
Base-Backbone interact. energy: -0.313
local terms energy: -66.056062
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -151.383772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.383772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.383772 (E_RNA)
where:
Base-Base interactions energy: -87.415
where: short stacking energy: -49.477
Base-Backbone interact. energy: -0.422
local terms energy: -63.546615
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -11.732
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: 30
Temperature: 1.100000
Total energy: -156.657087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.657087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.657087 (E_RNA)
where:
Base-Base interactions energy: -98.599
where: short stacking energy: -56.643
Base-Backbone interact. energy: 0.468
local terms energy: -58.526480
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -1.386
tors. eta vs tors. theta energy: -13.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -141.685444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.685444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.685444 (E_RNA)
where:
Base-Base interactions energy: -91.074
where: short stacking energy: -42.411
Base-Backbone interact. energy: 0.029
local terms energy: -50.640505
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -11.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -134.778678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.778678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.778678 (E_RNA)
where:
Base-Base interactions energy: -83.762
where: short stacking energy: -41.479
Base-Backbone interact. energy: -0.291
local terms energy: -50.725086
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -4.943
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -83.682486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.682486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.682486 (E_RNA)
where:
Base-Base interactions energy: -31.437
where: short stacking energy: -31.437
Base-Backbone interact. energy: -0.194
local terms energy: -52.052352
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -9.573
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: 9, replica: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -91.744596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.744596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.744596 (E_RNA)
where:
Base-Base interactions energy: -46.048
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.050
local terms energy: -45.647188
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -73.599393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.599393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.599393 (E_RNA)
where:
Base-Base interactions energy: -24.431
where: short stacking energy: -24.431
Base-Backbone interact. energy: -0.135
local terms energy: -49.033814
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -234.325134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.325134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.325134 (E_RNA)
where:
Base-Base interactions energy: -161.775
where: short stacking energy: -63.958
Base-Backbone interact. energy: 0.088
local terms energy: -72.637753
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -214.499728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.499728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.499728 (E_RNA)
where:
Base-Base interactions energy: -147.185
where: short stacking energy: -48.616
Base-Backbone interact. energy: -1.246
local terms energy: -66.068106
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -11.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -199.839209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.839209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.839209 (E_RNA)
where:
Base-Base interactions energy: -135.439
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.127
local terms energy: -64.273837
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -15.194
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: 31
Temperature: 1.050000
Total energy: -155.219959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.219959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.219959 (E_RNA)
where:
Base-Base interactions energy: -90.673
where: short stacking energy: -50.474
Base-Backbone interact. energy: -0.644
local terms energy: -63.903141
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -156.624438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.624438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.624438 (E_RNA)
where:
Base-Base interactions energy: -85.848
where: short stacking energy: -55.572
Base-Backbone interact. energy: -0.161
local terms energy: -70.615567
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -142.001511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.001511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.001511 (E_RNA)
where:
Base-Base interactions energy: -80.535
where: short stacking energy: -41.907
Base-Backbone interact. energy: -0.026
local terms energy: -61.440277
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -142.507511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.507511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.507511 (E_RNA)
where:
Base-Base interactions energy: -86.020
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.128
local terms energy: -56.359376
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -6.005
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: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -95.598003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.598003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.598003 (E_RNA)
where:
Base-Base interactions energy: -36.270
where: short stacking energy: -37.770
Base-Backbone interact. energy: -0.024
local terms energy: -59.303760
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -88.949332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.949332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.949332 (E_RNA)
where:
Base-Base interactions energy: -42.733
where: short stacking energy: -26.524
Base-Backbone interact. energy: -0.486
local terms energy: -45.729802
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -78.604490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.604490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.604490 (E_RNA)
where:
Base-Base interactions energy: -29.053
where: short stacking energy: -28.126
Base-Backbone interact. energy: -0.024
local terms energy: -49.527899
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -7.827
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: 32
Temperature: 0.900000
Total energy: -227.828659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.828659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.828659 (E_RNA)
where:
Base-Base interactions energy: -159.561
where: short stacking energy: -62.272
Base-Backbone interact. energy: -0.214
local terms energy: -68.053705
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -211.740683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.740683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.740683 (E_RNA)
where:
Base-Base interactions energy: -142.318
where: short stacking energy: -50.808
Base-Backbone interact. energy: 0.022
local terms energy: -69.445016
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -173.459140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.459140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.459140 (E_RNA)
where:
Base-Base interactions energy: -97.396
where: short stacking energy: -59.170
Base-Backbone interact. energy: -0.058
local terms energy: -76.005029
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -186.464627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.464627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.464627 (E_RNA)
where:
Base-Base interactions energy: -118.305
where: short stacking energy: -58.092
Base-Backbone interact. energy: -0.138
local terms energy: -68.021807
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -136.104944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.104944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.104944 (E_RNA)
where:
Base-Base interactions energy: -83.082
where: short stacking energy: -49.022
Base-Backbone interact. energy: -0.171
local terms energy: -52.851830
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -137.553755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.553755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.553755 (E_RNA)
where:
Base-Base interactions energy: -80.937
where: short stacking energy: -46.096
Base-Backbone interact. energy: -0.167
local terms energy: -56.449413
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -154.612855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.612855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.612855 (E_RNA)
where:
Base-Base interactions energy: -92.451
where: short stacking energy: -40.988
Base-Backbone interact. energy: -0.341
local terms energy: -61.820739
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -91.497837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.497837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.497837 (E_RNA)
where:
Base-Base interactions energy: -33.340
where: short stacking energy: -26.352
Base-Backbone interact. energy: -0.245
local terms energy: -57.912615
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -79.933324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.933324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.933324 (E_RNA)
where:
Base-Base interactions energy: -42.730
where: short stacking energy: -22.508
Base-Backbone interact. energy: -0.488
local terms energy: -36.715150
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -6.295
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: 1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -123.943173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.943173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.943173 (E_RNA)
where:
Base-Base interactions energy: -69.819
where: short stacking energy: -32.526
Base-Backbone interact. energy: -0.656
local terms energy: -53.468201
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -232.474827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.474827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.474827 (E_RNA)
where:
Base-Base interactions energy: -159.531
where: short stacking energy: -68.131
Base-Backbone interact. energy: -0.228
local terms energy: -72.715911
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -208.358779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.358779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.358779 (E_RNA)
where:
Base-Base interactions energy: -137.386
where: short stacking energy: -62.328
Base-Backbone interact. energy: -0.015
local terms energy: -70.957704
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -12.788
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: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -176.973126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.973126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.973126 (E_RNA)
where:
Base-Base interactions energy: -110.232
where: short stacking energy: -67.320
Base-Backbone interact. energy: -0.002
local terms energy: -66.739752
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -186.455170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.455170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.455170 (E_RNA)
where:
Base-Base interactions energy: -127.582
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.736
local terms energy: -58.136979
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -13.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -151.022957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.022957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.022957 (E_RNA)
where:
Base-Base interactions energy: -91.771
where: short stacking energy: -49.637
Base-Backbone interact. energy: -0.100
local terms energy: -59.152076
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -148.707139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.707139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.707139 (E_RNA)
where:
Base-Base interactions energy: -96.043
where: short stacking energy: -46.622
Base-Backbone interact. energy: -0.094
local terms energy: -52.570224
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -11.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -140.306908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.306908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.306908 (E_RNA)
where:
Base-Base interactions energy: -85.089
where: short stacking energy: -41.209
Base-Backbone interact. energy: -0.137
local terms energy: -55.080795
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -7.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -92.241860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.241860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.241860 (E_RNA)
where:
Base-Base interactions energy: -50.395
where: short stacking energy: -16.793
Base-Backbone interact. energy: -0.328
local terms energy: -41.518077
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: 0.363
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: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -88.773010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.773010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.773010 (E_RNA)
where:
Base-Base interactions energy: -37.115
where: short stacking energy: -32.733
Base-Backbone interact. energy: -0.127
local terms energy: -51.531281
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -6.250
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -7.168
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: 33
Temperature: 1.350000
Total energy: -72.118171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.118171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.118171 (E_RNA)
where:
Base-Base interactions energy: -27.121
where: short stacking energy: -24.191
Base-Backbone interact. energy: -0.443
local terms energy: -44.554626
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -226.825454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.825454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.825454 (E_RNA)
where:
Base-Base interactions energy: -153.451
where: short stacking energy: -62.336
Base-Backbone interact. energy: -0.172
local terms energy: -73.202272
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -17.247
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: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -207.660556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.660556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.660556 (E_RNA)
where:
Base-Base interactions energy: -137.535
where: short stacking energy: -53.017
Base-Backbone interact. energy: -0.852
local terms energy: -69.273900
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -196.156079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.156079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.156079 (E_RNA)
where:
Base-Base interactions energy: -123.044
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.013
local terms energy: -73.099632
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -157.888374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.888374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.888374 (E_RNA)
where:
Base-Base interactions energy: -93.621
where: short stacking energy: -51.448
Base-Backbone interact. energy: -0.155
local terms energy: -64.111703
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -155.665359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.665359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.665359 (E_RNA)
where:
Base-Base interactions energy: -88.179
where: short stacking energy: -50.272
Base-Backbone interact. energy: -0.208
local terms energy: -67.278901
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -132.204112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.204112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.204112 (E_RNA)
where:
Base-Base interactions energy: -82.238
where: short stacking energy: -34.291
Base-Backbone interact. energy: -0.734
local terms energy: -49.233069
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -145.306708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.306708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.306708 (E_RNA)
where:
Base-Base interactions energy: -82.393
where: short stacking energy: -51.682
Base-Backbone interact. energy: -0.056
local terms energy: -62.857491
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -84.438635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.438635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.438635 (E_RNA)
where:
Base-Base interactions energy: -35.076
where: short stacking energy: -27.914
Base-Backbone interact. energy: -0.359
local terms energy: -49.003700
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -1.391
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -97.086575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.086575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.086575 (E_RNA)
where:
Base-Base interactions energy: -52.175
where: short stacking energy: -19.778
Base-Backbone interact. energy: 0.233
local terms energy: -45.145104
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: 0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -81.612083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.612083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.612083 (E_RNA)
where:
Base-Base interactions energy: -32.928
where: short stacking energy: -27.730
Base-Backbone interact. energy: -1.343
local terms energy: -47.341004
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -9.303
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -236.302783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.302783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.302783 (E_RNA)
where:
Base-Base interactions energy: -160.474
where: short stacking energy: -60.943
Base-Backbone interact. energy: -0.934
local terms energy: -74.894519
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -9.971
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: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -197.263932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.263932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.263932 (E_RNA)
where:
Base-Base interactions energy: -125.309
where: short stacking energy: -65.629
Base-Backbone interact. energy: 0.143
local terms energy: -72.098190
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -18.879
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: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -193.289653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.289653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.289653 (E_RNA)
where:
Base-Base interactions energy: -124.945
where: short stacking energy: -63.845
Base-Backbone interact. energy: -0.195
local terms energy: -68.149256
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -13.191
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: 35
Temperature: 1.050000
Total energy: -179.841682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.841682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.841682 (E_RNA)
where:
Base-Base interactions energy: -112.989
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.237
local terms energy: -66.616162
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -152.148214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.148214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.148214 (E_RNA)
where:
Base-Base interactions energy: -96.628
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.015
local terms energy: -55.505833
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -141.248690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.248690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.248690 (E_RNA)
where:
Base-Base interactions energy: -88.843
where: short stacking energy: -37.724
Base-Backbone interact. energy: -0.144
local terms energy: -52.261792
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -126.087120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.087120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.087120 (E_RNA)
where:
Base-Base interactions energy: -69.914
where: short stacking energy: -38.977
Base-Backbone interact. energy: -0.455
local terms energy: -55.717755
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -5.532
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: 8, replica: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -87.108321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.108321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.108321 (E_RNA)
where:
Base-Base interactions energy: -31.407
where: short stacking energy: -23.283
Base-Backbone interact. energy: -0.702
local terms energy: -54.999526
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -89.220610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.220610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.220610 (E_RNA)
where:
Base-Base interactions energy: -51.941
where: short stacking energy: -25.385
Base-Backbone interact. energy: -0.142
local terms energy: -37.137840
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: 2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -95.357885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.357885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.357885 (E_RNA)
where:
Base-Base interactions energy: -42.913
where: short stacking energy: -31.046
Base-Backbone interact. energy: -0.338
local terms energy: -52.107534
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -8.534
flat angles P-C4'-P energy: -10.822
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: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -224.982400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.982400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.982400 (E_RNA)
where:
Base-Base interactions energy: -148.969
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.104
local terms energy: -75.909370
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -196.160138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.160138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.160138 (E_RNA)
where:
Base-Base interactions energy: -123.019
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.096
local terms energy: -73.045890
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -15.109
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: 36
Temperature: 1.000000
Total energy: -156.854980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.854980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.854980 (E_RNA)
where:
Base-Base interactions energy: -91.252
where: short stacking energy: -50.127
Base-Backbone interact. energy: -0.266
local terms energy: -65.336498
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -11.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -187.859838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.859838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.859838 (E_RNA)
where:
Base-Base interactions energy: -126.534
where: short stacking energy: -59.235
Base-Backbone interact. energy: -0.195
local terms energy: -61.130811
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -10.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -161.360351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.360351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.360351 (E_RNA)
where:
Base-Base interactions energy: -93.625
where: short stacking energy: -40.825
Base-Backbone interact. energy: -0.164
local terms energy: -67.571101
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -12.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -152.507039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.507039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.507039 (E_RNA)
where:
Base-Base interactions energy: -91.445
where: short stacking energy: -47.129
Base-Backbone interact. energy: -0.682
local terms energy: -60.380002
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -144.234077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.234077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.234077 (E_RNA)
where:
Base-Base interactions energy: -92.054
where: short stacking energy: -33.041
Base-Backbone interact. energy: -0.475
local terms energy: -51.704770
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -86.689726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.689726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.689726 (E_RNA)
where:
Base-Base interactions energy: -24.969
where: short stacking energy: -23.866
Base-Backbone interact. energy: -0.253
local terms energy: -61.467861
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.705
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: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -98.887214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.887214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.887214 (E_RNA)
where:
Base-Base interactions energy: -43.925
where: short stacking energy: -30.993
Base-Backbone interact. energy: -0.119
local terms energy: -54.843018
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -83.392836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.392836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.392836 (E_RNA)
where:
Base-Base interactions energy: -29.048
where: short stacking energy: -27.144
Base-Backbone interact. energy: 0.057
local terms energy: -54.401739
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -234.146493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.146493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.146493 (E_RNA)
where:
Base-Base interactions energy: -162.981
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.436
local terms energy: -70.730050
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -15.452
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: 37
Temperature: 0.950000
Total energy: -183.099589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.099589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.099589 (E_RNA)
where:
Base-Base interactions energy: -113.437
where: short stacking energy: -61.894
Base-Backbone interact. energy: -0.853
local terms energy: -68.809976
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -188.508214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.508214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.508214 (E_RNA)
where:
Base-Base interactions energy: -118.006
where: short stacking energy: -57.852
Base-Backbone interact. energy: -0.007
local terms energy: -70.494595
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -185.586418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.586418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.586418 (E_RNA)
where:
Base-Base interactions energy: -115.027
where: short stacking energy: -52.322
Base-Backbone interact. energy: -0.001
local terms energy: -70.558764
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -16.833
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: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -180.170193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.170193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.170193 (E_RNA)
where:
Base-Base interactions energy: -113.963
where: short stacking energy: -53.527
Base-Backbone interact. energy: -0.081
local terms energy: -66.126218
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -174.396878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.396878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.396878 (E_RNA)
where:
Base-Base interactions energy: -121.883
where: short stacking energy: -46.584
Base-Backbone interact. energy: -0.520
local terms energy: -51.994104
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -154.563623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.563623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.563623 (E_RNA)
where:
Base-Base interactions energy: -89.411
where: short stacking energy: -50.166
Base-Backbone interact. energy: 1.568
local terms energy: -66.720541
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -11.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -92.503782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.503782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.503782 (E_RNA)
where:
Base-Base interactions energy: -51.170
where: short stacking energy: -18.759
Base-Backbone interact. energy: 1.546
local terms energy: -42.880715
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: 2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -86.897982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.897982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.897982 (E_RNA)
where:
Base-Base interactions energy: -32.711
where: short stacking energy: -32.012
Base-Backbone interact. energy: -0.336
local terms energy: -53.851080
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -8.097
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -6.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -70.664020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.664020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.664020 (E_RNA)
where:
Base-Base interactions energy: -21.629
where: short stacking energy: -21.238
Base-Backbone interact. energy: -0.249
local terms energy: -48.786500
where:
bonds (distance) C4'-P energy: -8.924
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -3.567
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: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -233.618487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.618487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.618487 (E_RNA)
where:
Base-Base interactions energy: -164.667
where: short stacking energy: -64.709
Base-Backbone interact. energy: -0.526
local terms energy: -68.425703
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -182.703228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.703228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.703228 (E_RNA)
where:
Base-Base interactions energy: -109.806
where: short stacking energy: -58.958
Base-Backbone interact. energy: -0.692
local terms energy: -72.205299
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -16.669
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: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -186.985885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.985885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.985885 (E_RNA)
where:
Base-Base interactions energy: -118.362
where: short stacking energy: -60.615
Base-Backbone interact. energy: -0.091
local terms energy: -68.532394
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -17.559
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: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -184.453284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.453284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.453284 (E_RNA)
where:
Base-Base interactions energy: -122.025
where: short stacking energy: -65.438
Base-Backbone interact. energy: -0.322
local terms energy: -62.106932
where:
bonds (distance) C4'-P energy: -6.305
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -15.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -167.437093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.437093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.437093 (E_RNA)
where:
Base-Base interactions energy: -97.051
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.004
local terms energy: -70.382143
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -9.131
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: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -171.183409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.183409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.183409 (E_RNA)
where:
Base-Base interactions energy: -114.196
where: short stacking energy: -45.363
Base-Backbone interact. energy: 1.151
local terms energy: -58.138829
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -130.003596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.003596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.003596 (E_RNA)
where:
Base-Base interactions energy: -69.788
where: short stacking energy: -38.215
Base-Backbone interact. energy: -0.434
local terms energy: -59.781516
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -91.443991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.443991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.443991 (E_RNA)
where:
Base-Base interactions energy: -31.959
where: short stacking energy: -31.959
Base-Backbone interact. energy: -0.630
local terms energy: -58.855104
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -9.122
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: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -82.067606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.067606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.067606 (E_RNA)
where:
Base-Base interactions energy: -33.119
where: short stacking energy: -33.119
Base-Backbone interact. energy: -0.036
local terms energy: -48.912201
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: 0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -75.901988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.901988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.901988 (E_RNA)
where:
Base-Base interactions energy: -26.345
where: short stacking energy: -26.345
Base-Backbone interact. energy: -0.114
local terms energy: -49.443303
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -9.788
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -225.922445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.922445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.922445 (E_RNA)
where:
Base-Base interactions energy: -153.315
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.232
local terms energy: -72.375223
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -194.750449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.750449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.750449 (E_RNA)
where:
Base-Base interactions energy: -125.114
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.095
local terms energy: -69.541517
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -3.703
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -145.976196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.976196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.976196 (E_RNA)
where:
Base-Base interactions energy: -89.484
where: short stacking energy: -36.629
Base-Backbone interact. energy: -1.324
local terms energy: -55.168095
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -149.970667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.970667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.970667 (E_RNA)
where:
Base-Base interactions energy: -84.478
where: short stacking energy: -47.020
Base-Backbone interact. energy: -0.163
local terms energy: -65.330109
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -172.952492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.952492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.952492 (E_RNA)
where:
Base-Base interactions energy: -113.354
where: short stacking energy: -49.483
Base-Backbone interact. energy: 0.433
local terms energy: -60.031649
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -150.668650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.668650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.668650 (E_RNA)
where:
Base-Base interactions energy: -92.749
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.498
local terms energy: -57.421077
where:
bonds (distance) C4'-P energy: -7.239
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -16.419
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: 39
Temperature: 1.200000
Total energy: -142.309155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.309155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.309155 (E_RNA)
where:
Base-Base interactions energy: -82.243
where: short stacking energy: -50.391
Base-Backbone interact. energy: -0.191
local terms energy: -59.875281
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -8.315
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -90.391320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.391320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.391320 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -27.467
Base-Backbone interact. energy: -0.505
local terms energy: -54.482363
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -84.112026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.112026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.112026 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -32.766
Base-Backbone interact. energy: -0.385
local terms energy: -50.960754
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -6.750
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: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -76.613355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.613355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.613355 (E_RNA)
where:
Base-Base interactions energy: -32.088
where: short stacking energy: -29.591
Base-Backbone interact. energy: -0.542
local terms energy: -43.982495
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -227.791782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.791782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.791782 (E_RNA)
where:
Base-Base interactions energy: -154.947
where: short stacking energy: -55.583
Base-Backbone interact. energy: 0.412
local terms energy: -73.256504
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -16.581
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: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -200.797144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.797144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.797144 (E_RNA)
where:
Base-Base interactions energy: -125.307
where: short stacking energy: -63.863
Base-Backbone interact. energy: 0.257
local terms energy: -75.747843
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -158.932887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.932887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.932887 (E_RNA)
where:
Base-Base interactions energy: -91.709
where: short stacking energy: -52.471
Base-Backbone interact. energy: -0.269
local terms energy: -66.954229
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -12.218
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: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -151.048359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.048359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.048359 (E_RNA)
where:
Base-Base interactions energy: -87.559
where: short stacking energy: -43.997
Base-Backbone interact. energy: -0.169
local terms energy: -63.320055
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -186.298824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.298824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.298824 (E_RNA)
where:
Base-Base interactions energy: -121.709
where: short stacking energy: -48.636
Base-Backbone interact. energy: -0.250
local terms energy: -64.340438
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -151.859168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.859168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.859168 (E_RNA)
where:
Base-Base interactions energy: -86.631
where: short stacking energy: -52.929
Base-Backbone interact. energy: -0.191
local terms energy: -65.036721
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -97.191091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.191091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.191091 (E_RNA)
where:
Base-Base interactions energy: -39.612
where: short stacking energy: -35.050
Base-Backbone interact. energy: -0.964
local terms energy: -56.615399
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -6.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -131.621882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.621882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.621882 (E_RNA)
where:
Base-Base interactions energy: -70.051
where: short stacking energy: -41.153
Base-Backbone interact. energy: -0.010
local terms energy: -61.560836
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -79.227718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.227718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.227718 (E_RNA)
where:
Base-Base interactions energy: -35.366
where: short stacking energy: -33.708
Base-Backbone interact. energy: -0.099
local terms energy: -43.761897
where:
bonds (distance) C4'-P energy: -6.991
bonds (distance) P-C4' energy: -9.171
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -106.354051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.354051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.354051 (E_RNA)
where:
Base-Base interactions energy: -48.298
where: short stacking energy: -36.895
Base-Backbone interact. energy: -0.012
local terms energy: -58.043506
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -7.115
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: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -239.983164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.983164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.983164 (E_RNA)
where:
Base-Base interactions energy: -169.441
where: short stacking energy: -62.182
Base-Backbone interact. energy: -0.349
local terms energy: -70.193717
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -15.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -206.937982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.937982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.937982 (E_RNA)
where:
Base-Base interactions energy: -140.282
where: short stacking energy: -66.688
Base-Backbone interact. energy: -0.307
local terms energy: -66.348873
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -155.646017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.646017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.646017 (E_RNA)
where:
Base-Base interactions energy: -99.347
where: short stacking energy: -46.761
Base-Backbone interact. energy: -0.136
local terms energy: -56.162578
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -183.065877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.065877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.065877 (E_RNA)
where:
Base-Base interactions energy: -119.123
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.442
local terms energy: -63.500904
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -150.396797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.396797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.396797 (E_RNA)
where:
Base-Base interactions energy: -88.799
where: short stacking energy: -46.660
Base-Backbone interact. energy: -0.559
local terms energy: -61.038262
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -137.975611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.975611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.975611 (E_RNA)
where:
Base-Base interactions energy: -86.535
where: short stacking energy: -36.060
Base-Backbone interact. energy: -1.170
local terms energy: -50.270001
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -5.043
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: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -94.169973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.169973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.169973 (E_RNA)
where:
Base-Base interactions energy: -41.679
where: short stacking energy: -31.311
Base-Backbone interact. energy: -0.542
local terms energy: -51.949001
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -94.082363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.082363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.082363 (E_RNA)
where:
Base-Base interactions energy: -28.655
where: short stacking energy: -28.655
Base-Backbone interact. energy: -0.141
local terms energy: -65.286608
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -11.852
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: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -83.035660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.035660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.035660 (E_RNA)
where:
Base-Base interactions energy: -37.682
where: short stacking energy: -25.575
Base-Backbone interact. energy: -0.231
local terms energy: -45.122528
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: 1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -90.238525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.238525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.238525 (E_RNA)
where:
Base-Base interactions energy: -36.133
where: short stacking energy: -33.004
Base-Backbone interact. energy: -0.283
local terms energy: -53.823164
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -7.572
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -9.774
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: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -222.740083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.740083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.740083 (E_RNA)
where:
Base-Base interactions energy: -147.199
where: short stacking energy: -60.824
Base-Backbone interact. energy: -0.702
local terms energy: -74.839160
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -233.144567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.144567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.144567 (E_RNA)
where:
Base-Base interactions energy: -164.491
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.105
local terms energy: -68.548283
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -198.350818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.350818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.350818 (E_RNA)
where:
Base-Base interactions energy: -126.675
where: short stacking energy: -59.769
Base-Backbone interact. energy: -0.037
local terms energy: -71.639139
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -157.178899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.178899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.178899 (E_RNA)
where:
Base-Base interactions energy: -99.135
where: short stacking energy: -47.931
Base-Backbone interact. energy: -0.168
local terms energy: -57.876014
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -156.534570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.534570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.534570 (E_RNA)
where:
Base-Base interactions energy: -95.214
where: short stacking energy: -58.031
Base-Backbone interact. energy: -0.090
local terms energy: -61.229961
where:
bonds (distance) C4'-P energy: -7.603
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -158.023162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.023162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.023162 (E_RNA)
where:
Base-Base interactions energy: -94.551
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.004
local terms energy: -63.468243
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -104.358325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.358325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.358325 (E_RNA)
where:
Base-Base interactions energy: -49.856
where: short stacking energy: -37.263
Base-Backbone interact. energy: -0.175
local terms energy: -54.327264
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -90.531409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.531409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.531409 (E_RNA)
where:
Base-Base interactions energy: -39.114
where: short stacking energy: -39.114
Base-Backbone interact. energy: 0.793
local terms energy: -52.210769
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -4.199
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: 42
Temperature: 1.300000
Total energy: -77.662436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.662436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.662436 (E_RNA)
where:
Base-Base interactions energy: -27.023
where: short stacking energy: -27.023
Base-Backbone interact. energy: 0.493
local terms energy: -51.132817
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -71.607907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.607907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.607907 (E_RNA)
where:
Base-Base interactions energy: -29.928
where: short stacking energy: -29.774
Base-Backbone interact. energy: -0.029
local terms energy: -41.650885
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -5.375
flat angles P-C4'-P energy: -5.113
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: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -220.669974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.669974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.669974 (E_RNA)
where:
Base-Base interactions energy: -145.541
where: short stacking energy: -61.364
Base-Backbone interact. energy: -2.058
local terms energy: -73.070901
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -234.043476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.043476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.043476 (E_RNA)
where:
Base-Base interactions energy: -165.024
where: short stacking energy: -58.188
Base-Backbone interact. energy: 1.343
local terms energy: -70.362707
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -8.387
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: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -190.996708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.996708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.996708 (E_RNA)
where:
Base-Base interactions energy: -128.197
where: short stacking energy: -63.098
Base-Backbone interact. energy: -0.500
local terms energy: -62.299487
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -176.308686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.308686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.308686 (E_RNA)
where:
Base-Base interactions energy: -109.187
where: short stacking energy: -52.035
Base-Backbone interact. energy: -0.051
local terms energy: -67.071491
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -150.274717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.274717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.274717 (E_RNA)
where:
Base-Base interactions energy: -90.984
where: short stacking energy: -50.765
Base-Backbone interact. energy: -0.036
local terms energy: -59.255384
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -138.585013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.585013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.585013 (E_RNA)
where:
Base-Base interactions energy: -79.693
where: short stacking energy: -40.099
Base-Backbone interact. energy: -0.200
local terms energy: -58.692234
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -121.308830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.308830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.308830 (E_RNA)
where:
Base-Base interactions energy: -70.910
where: short stacking energy: -39.724
Base-Backbone interact. energy: -0.297
local terms energy: -50.102335
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -3.834
tors. eta vs tors. theta energy: -7.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -103.596496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.596496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.596496 (E_RNA)
where:
Base-Base interactions energy: -53.167
where: short stacking energy: -39.602
Base-Backbone interact. energy: -0.074
local terms energy: -50.355623
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -86.051389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.051389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.051389 (E_RNA)
where:
Base-Base interactions energy: -37.077
where: short stacking energy: -31.756
Base-Backbone interact. energy: -0.013
local terms energy: -48.961178
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -78.383557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.383557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.383557 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -34.699
Base-Backbone interact. energy: -0.419
local terms energy: -43.265365
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -230.615326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.615326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.615326 (E_RNA)
where:
Base-Base interactions energy: -164.200
where: short stacking energy: -60.974
Base-Backbone interact. energy: 2.508
local terms energy: -68.923190
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -214.695769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.695769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.695769 (E_RNA)
where:
Base-Base interactions energy: -139.723
where: short stacking energy: -54.647
Base-Backbone interact. energy: -0.492
local terms energy: -74.480170
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -182.705203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.705203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.705203 (E_RNA)
where:
Base-Base interactions energy: -115.298
where: short stacking energy: -57.910
Base-Backbone interact. energy: -0.004
local terms energy: -67.403458
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -178.015308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.015308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.015308 (E_RNA)
where:
Base-Base interactions energy: -118.001
where: short stacking energy: -52.881
Base-Backbone interact. energy: -0.006
local terms energy: -60.008620
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -152.719333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.719333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.719333 (E_RNA)
where:
Base-Base interactions energy: -97.071
where: short stacking energy: -41.686
Base-Backbone interact. energy: -0.316
local terms energy: -55.331605
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -5.509
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: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -138.032683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.032683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.032683 (E_RNA)
where:
Base-Base interactions energy: -80.855
where: short stacking energy: -44.855
Base-Backbone interact. energy: -0.420
local terms energy: -56.757715
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -104.248484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.248484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.248484 (E_RNA)
where:
Base-Base interactions energy: -50.493
where: short stacking energy: -19.221
Base-Backbone interact. energy: -0.092
local terms energy: -53.663604
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -126.951349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.951349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.951349 (E_RNA)
where:
Base-Base interactions energy: -68.195
where: short stacking energy: -33.239
Base-Backbone interact. energy: -0.179
local terms energy: -58.577261
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -82.691361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.691361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.691361 (E_RNA)
where:
Base-Base interactions energy: -26.005
where: short stacking energy: -21.697
Base-Backbone interact. energy: -0.274
local terms energy: -56.411838
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -76.105652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.105652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.105652 (E_RNA)
where:
Base-Base interactions energy: -33.264
where: short stacking energy: -33.264
Base-Backbone interact. energy: -0.357
local terms energy: -42.485187
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -9.215
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: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -232.585476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.585476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.585476 (E_RNA)
where:
Base-Base interactions energy: -168.440
where: short stacking energy: -67.740
Base-Backbone interact. energy: -0.047
local terms energy: -64.098749
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -182.765724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.765724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.765724 (E_RNA)
where:
Base-Base interactions energy: -113.163
where: short stacking energy: -52.895
Base-Backbone interact. energy: -0.341
local terms energy: -69.261434
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -199.455167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.455167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.455167 (E_RNA)
where:
Base-Base interactions energy: -131.565
where: short stacking energy: -56.658
Base-Backbone interact. energy: -0.316
local terms energy: -67.574589
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -11.270
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: 4, replica: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -181.459027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.459027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.459027 (E_RNA)
where:
Base-Base interactions energy: -124.229
where: short stacking energy: -53.881
Base-Backbone interact. energy: 1.507
local terms energy: -58.737023
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -12.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -154.085332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.085332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.085332 (E_RNA)
where:
Base-Base interactions energy: -93.154
where: short stacking energy: -49.431
Base-Backbone interact. energy: -0.077
local terms energy: -60.854365
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -1.535
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -135.392105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.392105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.392105 (E_RNA)
where:
Base-Base interactions energy: -82.997
where: short stacking energy: -35.938
Base-Backbone interact. energy: -0.874
local terms energy: -51.521806
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -6.965
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -105.518600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.518600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.518600 (E_RNA)
where:
Base-Base interactions energy: -55.751
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.041
local terms energy: -49.726067
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -7.757
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -0.339
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: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -86.184180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.184180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.184180 (E_RNA)
where:
Base-Base interactions energy: -26.158
where: short stacking energy: -26.158
Base-Backbone interact. energy: -0.200
local terms energy: -59.825463
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -132.609143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.609143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.609143 (E_RNA)
where:
Base-Base interactions energy: -73.868
where: short stacking energy: -41.296
Base-Backbone interact. energy: -0.577
local terms energy: -58.163768
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -7.761
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -77.418805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.418805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.418805 (E_RNA)
where:
Base-Base interactions energy: -30.117
where: short stacking energy: -30.117
Base-Backbone interact. energy: -0.155
local terms energy: -47.146979
where:
bonds (distance) C4'-P energy: -8.017
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -4.455
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: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -229.778185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.778185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.778185 (E_RNA)
where:
Base-Base interactions energy: -163.248
where: short stacking energy: -61.197
Base-Backbone interact. energy: -0.651
local terms energy: -65.879156
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -15.869
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: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -172.933889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.933889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.933889 (E_RNA)
where:
Base-Base interactions energy: -117.483
where: short stacking energy: -55.354
Base-Backbone interact. energy: 0.524
local terms energy: -55.974653
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -196.522368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.522368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.522368 (E_RNA)
where:
Base-Base interactions energy: -127.321
where: short stacking energy: -66.543
Base-Backbone interact. energy: 1.226
local terms energy: -70.427323
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -178.070284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.070284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.070284 (E_RNA)
where:
Base-Base interactions energy: -113.010
where: short stacking energy: -53.012
Base-Backbone interact. energy: -0.155
local terms energy: -64.905034
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -149.815910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.815910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.815910 (E_RNA)
where:
Base-Base interactions energy: -88.304
where: short stacking energy: -44.056
Base-Backbone interact. energy: -0.742
local terms energy: -60.770455
where:
bonds (distance) C4'-P energy: -9.152
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -10.728
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: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -157.539552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.539552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.539552 (E_RNA)
where:
Base-Base interactions energy: -89.774
where: short stacking energy: -41.902
Base-Backbone interact. energy: 1.516
local terms energy: -69.281105
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -12.223
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: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -106.469029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.469029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.469029 (E_RNA)
where:
Base-Base interactions energy: -42.022
where: short stacking energy: -40.152
Base-Backbone interact. energy: -0.001
local terms energy: -64.446952
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -80.951409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951409 (E_RNA)
where:
Base-Base interactions energy: -28.724
where: short stacking energy: -24.891
Base-Backbone interact. energy: -0.270
local terms energy: -51.956530
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -6.876
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: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -83.218507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.218507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.218507 (E_RNA)
where:
Base-Base interactions energy: -42.815
where: short stacking energy: -34.827
Base-Backbone interact. energy: -0.132
local terms energy: -40.271581
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: 0.769
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: 10, replica: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -119.033054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.033054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.033054 (E_RNA)
where:
Base-Base interactions energy: -58.744
where: short stacking energy: -34.249
Base-Backbone interact. energy: -1.414
local terms energy: -58.875676
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -230.442678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.442678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.442678 (E_RNA)
where:
Base-Base interactions energy: -167.063
where: short stacking energy: -66.299
Base-Backbone interact. energy: -0.650
local terms energy: -62.729222
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -3.710
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: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -204.528957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.528957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.528957 (E_RNA)
where:
Base-Base interactions energy: -133.926
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.135
local terms energy: -70.467817
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -164.016948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.016948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.016948 (E_RNA)
where:
Base-Base interactions energy: -95.799
where: short stacking energy: -62.364
Base-Backbone interact. energy: -0.641
local terms energy: -67.577364
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -13.788
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: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -184.257097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.257097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.257097 (E_RNA)
where:
Base-Base interactions energy: -112.908
where: short stacking energy: -53.287
Base-Backbone interact. energy: -0.241
local terms energy: -71.108235
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -153.849701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.849701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.849701 (E_RNA)
where:
Base-Base interactions energy: -91.019
where: short stacking energy: -52.273
Base-Backbone interact. energy: -0.119
local terms energy: -62.711334
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -141.350556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.350556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.350556 (E_RNA)
where:
Base-Base interactions energy: -84.516
where: short stacking energy: -36.165
Base-Backbone interact. energy: -0.719
local terms energy: -56.115595
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -2.531
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: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -93.660419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.660419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.660419 (E_RNA)
where:
Base-Base interactions energy: -51.995
where: short stacking energy: -37.457
Base-Backbone interact. energy: -0.099
local terms energy: -41.565913
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -9.057
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -91.606135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606135 (E_RNA)
where:
Base-Base interactions energy: -39.129
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.610
local terms energy: -51.866412
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -5.711
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: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -78.606049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.606049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.606049 (E_RNA)
where:
Base-Base interactions energy: -25.216
where: short stacking energy: -25.791
Base-Backbone interact. energy: 0.427
local terms energy: -53.816222
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -75.376941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.376941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.376941 (E_RNA)
where:
Base-Base interactions energy: -24.084
where: short stacking energy: -20.246
Base-Backbone interact. energy: -0.039
local terms energy: -51.253491
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -11.965
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: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -224.034619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.034619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.034619 (E_RNA)
where:
Base-Base interactions energy: -153.232
where: short stacking energy: -58.877
Base-Backbone interact. energy: -0.152
local terms energy: -70.651222
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -14.151
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: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -205.961976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.961976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.961976 (E_RNA)
where:
Base-Base interactions energy: -136.299
where: short stacking energy: -74.323
Base-Backbone interact. energy: -0.100
local terms energy: -69.563229
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -192.378380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.378380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.378380 (E_RNA)
where:
Base-Base interactions energy: -123.567
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.106
local terms energy: -68.705539
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -17.620
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: 48
Temperature: 1.050000
Total energy: -153.232493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.232493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.232493 (E_RNA)
where:
Base-Base interactions energy: -88.711
where: short stacking energy: -49.307
Base-Backbone interact. energy: -0.217
local terms energy: -64.305226
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -7.506
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -134.856187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.856187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.856187 (E_RNA)
where:
Base-Base interactions energy: -72.742
where: short stacking energy: -44.241
Base-Backbone interact. energy: -0.024
local terms energy: -62.089699
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -12.109
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: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -146.185407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.185407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.185407 (E_RNA)
where:
Base-Base interactions energy: -86.013
where: short stacking energy: -49.397
Base-Backbone interact. energy: 0.852
local terms energy: -61.024161
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -103.306356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.306356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.306356 (E_RNA)
where:
Base-Base interactions energy: -42.161
where: short stacking energy: -36.660
Base-Backbone interact. energy: 2.089
local terms energy: -63.234399
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -7.783
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: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -96.623519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.623519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.623519 (E_RNA)
where:
Base-Base interactions energy: -50.702
where: short stacking energy: -28.166
Base-Backbone interact. energy: -0.286
local terms energy: -45.635151
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -73.904508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.904508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.904508 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -30.514
Base-Backbone interact. energy: -0.328
local terms energy: -39.206443
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -6.979
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -2.279
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: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -90.127734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.127734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.127734 (E_RNA)
where:
Base-Base interactions energy: -34.756
where: short stacking energy: -34.756
Base-Backbone interact. energy: 0.154
local terms energy: -55.526192
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -8.214
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: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -222.751476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.751476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.751476 (E_RNA)
where:
Base-Base interactions energy: -152.754
where: short stacking energy: -58.002
Base-Backbone interact. energy: -0.159
local terms energy: -69.838079
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -17.658
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: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -205.397127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.397127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.397127 (E_RNA)
where:
Base-Base interactions energy: -135.118
where: short stacking energy: -58.442
Base-Backbone interact. energy: -0.157
local terms energy: -70.121996
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -14.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -207.738158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.738158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.738158 (E_RNA)
where:
Base-Base interactions energy: -138.507
where: short stacking energy: -72.049
Base-Backbone interact. energy: -0.037
local terms energy: -69.194191
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -142.009084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.009084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.009084 (E_RNA)
where:
Base-Base interactions energy: -80.428
where: short stacking energy: -36.346
Base-Backbone interact. energy: -0.203
local terms energy: -61.377585
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -7.930
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: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -160.908534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.908534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.908534 (E_RNA)
where:
Base-Base interactions energy: -99.278
where: short stacking energy: -52.649
Base-Backbone interact. energy: -0.338
local terms energy: -61.292040
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -146.420676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.420676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.420676 (E_RNA)
where:
Base-Base interactions energy: -96.490
where: short stacking energy: -38.685
Base-Backbone interact. energy: -1.092
local terms energy: -48.838074
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -2.533
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: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -89.720893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.720893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.720893 (E_RNA)
where:
Base-Base interactions energy: -29.446
where: short stacking energy: -28.812
Base-Backbone interact. energy: -0.832
local terms energy: -59.443049
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.996
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: 8, replica: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -98.734543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.734543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.734543 (E_RNA)
where:
Base-Base interactions energy: -42.216
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.110
local terms energy: -56.408140
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -8.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -94.457189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.457189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.457189 (E_RNA)
where:
Base-Base interactions energy: -54.320
where: short stacking energy: -31.793
Base-Backbone interact. energy: -0.826
local terms energy: -39.311462
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -4.054
tors. eta vs tors. theta energy: 1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -92.551062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.551062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.551062 (E_RNA)
where:
Base-Base interactions energy: -39.237
where: short stacking energy: -39.237
Base-Backbone interact. energy: -0.152
local terms energy: -53.161260
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -5.292
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: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -196.265268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.265268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.265268 (E_RNA)
where:
Base-Base interactions energy: -119.334
where: short stacking energy: -55.860
Base-Backbone interact. energy: -0.170
local terms energy: -76.760750
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -199.212235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.212235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.212235 (E_RNA)
where:
Base-Base interactions energy: -130.491
where: short stacking energy: -57.220
Base-Backbone interact. energy: -0.123
local terms energy: -68.598169
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -197.152987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.152987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.152987 (E_RNA)
where:
Base-Base interactions energy: -130.752
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.197
local terms energy: -66.203436
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -1.549
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: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -156.764249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.764249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.764249 (E_RNA)
where:
Base-Base interactions energy: -91.841
where: short stacking energy: -52.963
Base-Backbone interact. energy: -0.031
local terms energy: -64.891747
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -161.603415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.603415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.603415 (E_RNA)
where:
Base-Base interactions energy: -95.134
where: short stacking energy: -48.737
Base-Backbone interact. energy: -1.009
local terms energy: -65.460680
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -147.146398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.146398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.146398 (E_RNA)
where:
Base-Base interactions energy: -86.482
where: short stacking energy: -46.527
Base-Backbone interact. energy: -0.602
local terms energy: -60.062719
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -97.298236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.298236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.298236 (E_RNA)
where:
Base-Base interactions energy: -38.360
where: short stacking energy: -37.586
Base-Backbone interact. energy: -0.125
local terms energy: -58.813321
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -7.022
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: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -82.444345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.444345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.444345 (E_RNA)
where:
Base-Base interactions energy: -27.708
where: short stacking energy: -27.708
Base-Backbone interact. energy: -0.275
local terms energy: -54.461561
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -3.338
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: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -76.914207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.914207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.914207 (E_RNA)
where:
Base-Base interactions energy: -26.772
where: short stacking energy: -26.347
Base-Backbone interact. energy: -0.105
local terms energy: -50.037557
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -12.148
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: 2
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -79.991621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.991621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.991621 (E_RNA)
where:
Base-Base interactions energy: -34.451
where: short stacking energy: -31.445
Base-Backbone interact. energy: 1.691
local terms energy: -47.231305
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -1.908
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: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -201.637505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.637505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.637505 (E_RNA)
where:
Base-Base interactions energy: -129.791
where: short stacking energy: -62.501
Base-Backbone interact. energy: -0.101
local terms energy: -71.745946
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -193.457386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.457386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.457386 (E_RNA)
where:
Base-Base interactions energy: -120.086
where: short stacking energy: -58.846
Base-Backbone interact. energy: -0.377
local terms energy: -72.994545
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -191.922027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.922027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.922027 (E_RNA)
where:
Base-Base interactions energy: -132.891
where: short stacking energy: -59.965
Base-Backbone interact. energy: 2.379
local terms energy: -61.410609
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -167.906476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.906476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.906476 (E_RNA)
where:
Base-Base interactions energy: -104.100
where: short stacking energy: -48.289
Base-Backbone interact. energy: -0.392
local terms energy: -63.414777
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -136.417469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.417469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.417469 (E_RNA)
where:
Base-Base interactions energy: -72.860
where: short stacking energy: -37.018
Base-Backbone interact. energy: -0.224
local terms energy: -63.333797
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -136.530382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.530382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.530382 (E_RNA)
where:
Base-Base interactions energy: -82.789
where: short stacking energy: -45.415
Base-Backbone interact. energy: -0.444
local terms energy: -53.297273
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -89.745927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.745927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.745927 (E_RNA)
where:
Base-Base interactions energy: -40.313
where: short stacking energy: -40.123
Base-Backbone interact. energy: -0.103
local terms energy: -49.330009
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -4.823
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: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -80.407579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.407579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.407579 (E_RNA)
where:
Base-Base interactions energy: -32.263
where: short stacking energy: -29.328
Base-Backbone interact. energy: -0.100
local terms energy: -48.044903
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -2.445
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -72.009825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.009825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.009825 (E_RNA)
where:
Base-Base interactions energy: -21.796
where: short stacking energy: -18.859
Base-Backbone interact. energy: -0.115
local terms energy: -50.099221
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: 3.136
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: 2
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -98.727003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.727003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.727003 (E_RNA)
where:
Base-Base interactions energy: -43.177
where: short stacking energy: -30.684
Base-Backbone interact. energy: -0.939
local terms energy: -54.611682
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.599
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: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -218.746409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.746409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.746409 (E_RNA)
where:
Base-Base interactions energy: -151.150
where: short stacking energy: -64.597
Base-Backbone interact. energy: -1.144
local terms energy: -66.452441
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -193.813073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.813073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.813073 (E_RNA)
where:
Base-Base interactions energy: -122.525
where: short stacking energy: -61.577
Base-Backbone interact. energy: 0.417
local terms energy: -71.704969
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -192.606112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.606112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.606112 (E_RNA)
where:
Base-Base interactions energy: -126.257
where: short stacking energy: -64.586
Base-Backbone interact. energy: -0.011
local terms energy: -66.338660
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -10.548
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: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -184.889685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.889685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.889685 (E_RNA)
where:
Base-Base interactions energy: -110.110
where: short stacking energy: -50.831
Base-Backbone interact. energy: -0.090
local terms energy: -74.689941
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -142.830734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.830734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.830734 (E_RNA)
where:
Base-Base interactions energy: -72.795
where: short stacking energy: -44.058
Base-Backbone interact. energy: -0.030
local terms energy: -70.006318
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -119.388821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.388821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.388821 (E_RNA)
where:
Base-Base interactions energy: -84.157
where: short stacking energy: -34.847
Base-Backbone interact. energy: -0.240
local terms energy: -34.991889
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -5.496
flat angles P-C4'-P energy: -3.237
tors. eta vs tors. theta energy: -1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -95.610910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.610910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.610910 (E_RNA)
where:
Base-Base interactions energy: -42.428
where: short stacking energy: -37.177
Base-Backbone interact. energy: -0.198
local terms energy: -52.984828
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -87.195315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.195315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.195315 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -36.402
Base-Backbone interact. energy: -0.186
local terms energy: -48.870194
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -75.525466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.525466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.525466 (E_RNA)
where:
Base-Base interactions energy: -24.081
where: short stacking energy: -19.301
Base-Backbone interact. energy: -0.209
local terms energy: -51.235567
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -2.869
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: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -113.716049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.716049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.716049 (E_RNA)
where:
Base-Base interactions energy: -66.264
where: short stacking energy: -34.740
Base-Backbone interact. energy: -0.160
local terms energy: -47.292036
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -222.496645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.496645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.496645 (E_RNA)
where:
Base-Base interactions energy: -149.178
where: short stacking energy: -63.171
Base-Backbone interact. energy: -0.257
local terms energy: -73.061703
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -196.033871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.033871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.033871 (E_RNA)
where:
Base-Base interactions energy: -124.320
where: short stacking energy: -58.170
Base-Backbone interact. energy: -0.001
local terms energy: -71.713394
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -190.964204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.964204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.964204 (E_RNA)
where:
Base-Base interactions energy: -119.901
where: short stacking energy: -59.533
Base-Backbone interact. energy: -0.001
local terms energy: -71.062466
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -188.515376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.515376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.515376 (E_RNA)
where:
Base-Base interactions energy: -116.285
where: short stacking energy: -54.717
Base-Backbone interact. energy: -0.531
local terms energy: -71.699555
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -142.610986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.610986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.610986 (E_RNA)
where:
Base-Base interactions energy: -85.559
where: short stacking energy: -39.759
Base-Backbone interact. energy: -0.452
local terms energy: -56.599998
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -154.267245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.267245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.267245 (E_RNA)
where:
Base-Base interactions energy: -99.816
where: short stacking energy: -45.921
Base-Backbone interact. energy: -0.528
local terms energy: -53.923200
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -5.616
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: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -97.900516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.900516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.900516 (E_RNA)
where:
Base-Base interactions energy: -40.827
where: short stacking energy: -40.827
Base-Backbone interact. energy: 0.073
local terms energy: -57.146683
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -85.638630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.638630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.638630 (E_RNA)
where:
Base-Base interactions energy: -31.110
where: short stacking energy: -31.172
Base-Backbone interact. energy: -0.424
local terms energy: -54.103964
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -78.836308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.836308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.836308 (E_RNA)
where:
Base-Base interactions energy: -28.801
where: short stacking energy: -27.966
Base-Backbone interact. energy: -0.237
local terms energy: -49.798501
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: 0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -83.411665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.411665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.411665 (E_RNA)
where:
Base-Base interactions energy: -32.305
where: short stacking energy: -30.365
Base-Backbone interact. energy: -0.038
local terms energy: -51.069171
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -218.277929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.277929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.277929 (E_RNA)
where:
Base-Base interactions energy: -142.535
where: short stacking energy: -59.852
Base-Backbone interact. energy: -1.889
local terms energy: -73.853695
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -197.135537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.135537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.135537 (E_RNA)
where:
Base-Base interactions energy: -130.394
where: short stacking energy: -56.345
Base-Backbone interact. energy: -0.010
local terms energy: -66.731333
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -15.620
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: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -194.132232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.132232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.132232 (E_RNA)
where:
Base-Base interactions energy: -122.667
where: short stacking energy: -64.031
Base-Backbone interact. energy: -0.642
local terms energy: -70.823557
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -154.149389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.149389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.149389 (E_RNA)
where:
Base-Base interactions energy: -88.176
where: short stacking energy: -48.596
Base-Backbone interact. energy: -0.130
local terms energy: -65.843195
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -166.033380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.033380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.033380 (E_RNA)
where:
Base-Base interactions energy: -105.052
where: short stacking energy: -56.713
Base-Backbone interact. energy: -0.173
local terms energy: -60.808299
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -147.058152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.058152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.058152 (E_RNA)
where:
Base-Base interactions energy: -83.964
where: short stacking energy: -45.097
Base-Backbone interact. energy: -0.591
local terms energy: -62.502764
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -98.748944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.748944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.748944 (E_RNA)
where:
Base-Base interactions energy: -45.614
where: short stacking energy: -38.362
Base-Backbone interact. energy: -0.087
local terms energy: -53.048633
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -82.033180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.033180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.033180 (E_RNA)
where:
Base-Base interactions energy: -29.140
where: short stacking energy: -29.066
Base-Backbone interact. energy: -0.156
local terms energy: -52.737041
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -5.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -80.775619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.775619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.775619 (E_RNA)
where:
Base-Base interactions energy: -32.626
where: short stacking energy: -24.165
Base-Backbone interact. energy: -0.767
local terms energy: -47.382177
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -8.301
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -7.248
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: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -74.205904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.205904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.205904 (E_RNA)
where:
Base-Base interactions energy: -29.531
where: short stacking energy: -25.413
Base-Backbone interact. energy: -0.114
local terms energy: -44.561134
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -6.343
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -3.988
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: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -211.674757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.674757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.674757 (E_RNA)
where:
Base-Base interactions energy: -142.365
where: short stacking energy: -64.209
Base-Backbone interact. energy: -1.956
local terms energy: -67.354433
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -193.627346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.627346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.627346 (E_RNA)
where:
Base-Base interactions energy: -128.287
where: short stacking energy: -63.811
Base-Backbone interact. energy: -0.003
local terms energy: -65.337269
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -196.337192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.337192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.337192 (E_RNA)
where:
Base-Base interactions energy: -130.109
where: short stacking energy: -56.281
Base-Backbone interact. energy: -0.019
local terms energy: -66.209349
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -17.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -169.235361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.235361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.235361 (E_RNA)
where:
Base-Base interactions energy: -104.521
where: short stacking energy: -48.859
Base-Backbone interact. energy: -0.271
local terms energy: -64.442938
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -151.855724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.855724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.855724 (E_RNA)
where:
Base-Base interactions energy: -94.673
where: short stacking energy: -45.472
Base-Backbone interact. energy: -0.168
local terms energy: -57.014390
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -9.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -107.494904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.494904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.494904 (E_RNA)
where:
Base-Base interactions energy: -52.784
where: short stacking energy: -36.970
Base-Backbone interact. energy: 0.384
local terms energy: -55.094793
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -126.973141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.973141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.973141 (E_RNA)
where:
Base-Base interactions energy: -74.658
where: short stacking energy: -34.973
Base-Backbone interact. energy: -0.189
local terms energy: -52.126114
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -81.754602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.754602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.754602 (E_RNA)
where:
Base-Base interactions energy: -31.965
where: short stacking energy: -26.872
Base-Backbone interact. energy: -0.651
local terms energy: -49.138032
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -83.134109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.134109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.134109 (E_RNA)
where:
Base-Base interactions energy: -31.059
where: short stacking energy: -30.601
Base-Backbone interact. energy: -0.003
local terms energy: -52.072189
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -8.399
flat angles P-C4'-P energy: -9.420
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: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -89.777704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.777704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.777704 (E_RNA)
where:
Base-Base interactions energy: -39.457
where: short stacking energy: -23.920
Base-Backbone interact. energy: 0.383
local terms energy: -50.703623
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -1.864
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: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -205.335352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.335352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.335352 (E_RNA)
where:
Base-Base interactions energy: -129.608
where: short stacking energy: -66.336
Base-Backbone interact. energy: -0.036
local terms energy: -75.691376
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -206.102700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.102700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.102700 (E_RNA)
where:
Base-Base interactions energy: -135.752
where: short stacking energy: -58.382
Base-Backbone interact. energy: -0.566
local terms energy: -69.784336
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -203.003342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.003342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.003342 (E_RNA)
where:
Base-Base interactions energy: -133.837
where: short stacking energy: -53.579
Base-Backbone interact. energy: -0.025
local terms energy: -69.141432
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -189.899589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.899589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.899589 (E_RNA)
where:
Base-Base interactions energy: -116.671
where: short stacking energy: -60.928
Base-Backbone interact. energy: -0.660
local terms energy: -72.567899
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -179.241511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.241511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.241511 (E_RNA)
where:
Base-Base interactions energy: -105.982
where: short stacking energy: -62.559
Base-Backbone interact. energy: -0.035
local terms energy: -73.224899
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -103.523579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.523579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.523579 (E_RNA)
where:
Base-Base interactions energy: -46.084
where: short stacking energy: -34.391
Base-Backbone interact. energy: -0.321
local terms energy: -57.119453
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -8.501
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: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -126.364048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.364048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.364048 (E_RNA)
where:
Base-Base interactions energy: -67.900
where: short stacking energy: -38.627
Base-Backbone interact. energy: -0.102
local terms energy: -58.361818
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -82.134437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.134437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.134437 (E_RNA)
where:
Base-Base interactions energy: -27.982
where: short stacking energy: -27.982
Base-Backbone interact. energy: -0.388
local terms energy: -53.763842
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -5.968
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: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -84.443947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.443947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.443947 (E_RNA)
where:
Base-Base interactions energy: -37.861
where: short stacking energy: -22.487
Base-Backbone interact. energy: -0.302
local terms energy: -46.280872
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -77.848095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.848095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.848095 (E_RNA)
where:
Base-Base interactions energy: -33.207
where: short stacking energy: -33.207
Base-Backbone interact. energy: -0.049
local terms energy: -44.592754
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -208.743887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.743887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.743887 (E_RNA)
where:
Base-Base interactions energy: -138.633
where: short stacking energy: -68.203
Base-Backbone interact. energy: 0.656
local terms energy: -70.766794
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -211.903887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.903887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.903887 (E_RNA)
where:
Base-Base interactions energy: -138.682
where: short stacking energy: -69.104
Base-Backbone interact. energy: -0.194
local terms energy: -73.027466
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -201.196164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.196164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.196164 (E_RNA)
where:
Base-Base interactions energy: -131.525
where: short stacking energy: -71.003
Base-Backbone interact. energy: -0.006
local terms energy: -69.664737
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -171.460312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.460312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.460312 (E_RNA)
where:
Base-Base interactions energy: -101.644
where: short stacking energy: -56.108
Base-Backbone interact. energy: -0.616
local terms energy: -69.200075
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -160.291554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.291554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.291554 (E_RNA)
where:
Base-Base interactions energy: -101.981
where: short stacking energy: -48.368
Base-Backbone interact. energy: -0.231
local terms energy: -58.079787
where:
bonds (distance) C4'-P energy: -7.290
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -13.273
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: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -135.879854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.879854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.879854 (E_RNA)
where:
Base-Base interactions energy: -75.600
where: short stacking energy: -41.426
Base-Backbone interact. energy: -0.911
local terms energy: -59.369732
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -90.575910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.575910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.575910 (E_RNA)
where:
Base-Base interactions energy: -41.943
where: short stacking energy: -23.468
Base-Backbone interact. energy: -0.164
local terms energy: -48.468971
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -6.933
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -90.759642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.759642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.759642 (E_RNA)
where:
Base-Base interactions energy: -35.773
where: short stacking energy: -35.773
Base-Backbone interact. energy: 0.132
local terms energy: -55.118528
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -78.494145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.494145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.494145 (E_RNA)
where:
Base-Base interactions energy: -21.904
where: short stacking energy: -16.101
Base-Backbone interact. energy: -0.239
local terms energy: -56.351325
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -82.977618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.977618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.977618 (E_RNA)
where:
Base-Base interactions energy: -22.802
where: short stacking energy: -22.041
Base-Backbone interact. energy: -0.099
local terms energy: -60.076631
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -218.790477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.790477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.790477 (E_RNA)
where:
Base-Base interactions energy: -143.013
where: short stacking energy: -71.531
Base-Backbone interact. energy: -0.069
local terms energy: -75.709181
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -196.096509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.096509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.096509 (E_RNA)
where:
Base-Base interactions energy: -128.010
where: short stacking energy: -67.165
Base-Backbone interact. energy: -0.002
local terms energy: -68.085023
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -15.152
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: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -197.230913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.230913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.230913 (E_RNA)
where:
Base-Base interactions energy: -128.441
where: short stacking energy: -66.912
Base-Backbone interact. energy: -0.114
local terms energy: -68.676415
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -177.171376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.171376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.171376 (E_RNA)
where:
Base-Base interactions energy: -106.715
where: short stacking energy: -60.067
Base-Backbone interact. energy: 0.100
local terms energy: -70.557038
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -14.720
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: 58
Temperature: 1.100000
Total energy: -163.704139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.704139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.704139 (E_RNA)
where:
Base-Base interactions energy: -100.888
where: short stacking energy: -50.521
Base-Backbone interact. energy: -0.079
local terms energy: -62.736952
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -14.383
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: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -122.339504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.339504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.339504 (E_RNA)
where:
Base-Base interactions energy: -72.914
where: short stacking energy: -32.673
Base-Backbone interact. energy: -0.616
local terms energy: -48.809408
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: 0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -85.830216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.830216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.830216 (E_RNA)
where:
Base-Base interactions energy: -32.748
where: short stacking energy: -26.717
Base-Backbone interact. energy: -0.352
local terms energy: -52.730323
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -12.833
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: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -91.627842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.627842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.627842 (E_RNA)
where:
Base-Base interactions energy: -40.874
where: short stacking energy: -23.116
Base-Backbone interact. energy: -0.096
local terms energy: -50.658021
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -90.228984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.228984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.228984 (E_RNA)
where:
Base-Base interactions energy: -41.839
where: short stacking energy: -38.338
Base-Backbone interact. energy: 0.215
local terms energy: -48.605242
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -7.402
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -7.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -79.798131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.798131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.798131 (E_RNA)
where:
Base-Base interactions energy: -30.532
where: short stacking energy: -28.842
Base-Backbone interact. energy: 0.183
local terms energy: -49.448714
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -3.939
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: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -208.230723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.230723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.230723 (E_RNA)
where:
Base-Base interactions energy: -140.506
where: short stacking energy: -58.480
Base-Backbone interact. energy: -0.413
local terms energy: -67.312147
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -15.578
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: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -196.047135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.047135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.047135 (E_RNA)
where:
Base-Base interactions energy: -124.191
where: short stacking energy: -60.363
Base-Backbone interact. energy: 0.254
local terms energy: -72.110727
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -11.194
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: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -190.327209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.327209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.327209 (E_RNA)
where:
Base-Base interactions energy: -125.327
where: short stacking energy: -58.589
Base-Backbone interact. energy: -0.284
local terms energy: -64.715764
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -173.635397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.635397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.635397 (E_RNA)
where:
Base-Base interactions energy: -104.640
where: short stacking energy: -56.395
Base-Backbone interact. energy: -0.029
local terms energy: -68.966714
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -8.735
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: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -157.847771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.847771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.847771 (E_RNA)
where:
Base-Base interactions energy: -107.948
where: short stacking energy: -47.971
Base-Backbone interact. energy: -0.043
local terms energy: -49.857394
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -0.862
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -134.042299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.042299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.042299 (E_RNA)
where:
Base-Base interactions energy: -82.841
where: short stacking energy: -34.355
Base-Backbone interact. energy: -1.038
local terms energy: -50.162765
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -101.056684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.056684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.056684 (E_RNA)
where:
Base-Base interactions energy: -50.063
where: short stacking energy: -40.730
Base-Backbone interact. energy: -0.153
local terms energy: -50.840436
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -92.414973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.414973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.414973 (E_RNA)
where:
Base-Base interactions energy: -34.702
where: short stacking energy: -34.702
Base-Backbone interact. energy: -0.097
local terms energy: -57.615325
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -6.256
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: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -77.108396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.108396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.108396 (E_RNA)
where:
Base-Base interactions energy: -27.845
where: short stacking energy: -27.845
Base-Backbone interact. energy: -0.022
local terms energy: -49.241117
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -69.831397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.831397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.831397 (E_RNA)
where:
Base-Base interactions energy: -24.204
where: short stacking energy: -23.670
Base-Backbone interact. energy: -0.801
local terms energy: -44.827004
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -216.957962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.957962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.957962 (E_RNA)
where:
Base-Base interactions energy: -143.485
where: short stacking energy: -63.543
Base-Backbone interact. energy: -0.630
local terms energy: -72.843240
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -4.209
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: 2, replica: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -201.111763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.111763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.111763 (E_RNA)
where:
Base-Base interactions energy: -127.939
where: short stacking energy: -61.316
Base-Backbone interact. energy: -0.005
local terms energy: -73.167243
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -196.783407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.783407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.783407 (E_RNA)
where:
Base-Base interactions energy: -126.915
where: short stacking energy: -59.895
Base-Backbone interact. energy: -0.255
local terms energy: -69.613388
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -159.164593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.164593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.164593 (E_RNA)
where:
Base-Base interactions energy: -94.540
where: short stacking energy: -40.957
Base-Backbone interact. energy: -1.267
local terms energy: -63.358210
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -7.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -131.530253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.530253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.530253 (E_RNA)
where:
Base-Base interactions energy: -75.055
where: short stacking energy: -39.672
Base-Backbone interact. energy: -0.322
local terms energy: -56.153136
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -149.513392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.513392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.513392 (E_RNA)
where:
Base-Base interactions energy: -94.286
where: short stacking energy: -48.807
Base-Backbone interact. energy: -0.177
local terms energy: -55.049861
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -9.027
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -6.638
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: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -95.774811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.774811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.774811 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -30.114
Base-Backbone interact. energy: -0.030
local terms energy: -58.453382
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -85.113617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.113617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.113617 (E_RNA)
where:
Base-Base interactions energy: -32.964
where: short stacking energy: -26.919
Base-Backbone interact. energy: -0.063
local terms energy: -52.086832
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -86.401627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.401627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.401627 (E_RNA)
where:
Base-Base interactions energy: -43.988
where: short stacking energy: -30.421
Base-Backbone interact. energy: -0.270
local terms energy: -42.143508
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: 1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -75.925579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.925579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.925579 (E_RNA)
where:
Base-Base interactions energy: -31.979
where: short stacking energy: -30.787
Base-Backbone interact. energy: -0.099
local terms energy: -43.848342
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -7.822
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -202.884445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.884445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.884445 (E_RNA)
where:
Base-Base interactions energy: -136.997
where: short stacking energy: -63.832
Base-Backbone interact. energy: -0.201
local terms energy: -65.686459
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -201.280364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.280364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.280364 (E_RNA)
where:
Base-Base interactions energy: -128.872
where: short stacking energy: -68.102
Base-Backbone interact. energy: -0.003
local terms energy: -72.405457
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.635
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: 3, replica: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -181.656724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.656724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.656724 (E_RNA)
where:
Base-Base interactions energy: -116.965
where: short stacking energy: -55.300
Base-Backbone interact. energy: -0.012
local terms energy: -64.679632
where:
bonds (distance) C4'-P energy: -7.709
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -157.355603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.355603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.355603 (E_RNA)
where:
Base-Base interactions energy: -93.372
where: short stacking energy: -61.623
Base-Backbone interact. energy: -0.021
local terms energy: -63.962894
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -150.638982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.638982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.638982 (E_RNA)
where:
Base-Base interactions energy: -82.972
where: short stacking energy: -50.702
Base-Backbone interact. energy: -0.535
local terms energy: -67.131879
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -116.903953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.903953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.903953 (E_RNA)
where:
Base-Base interactions energy: -54.998
where: short stacking energy: -41.763
Base-Backbone interact. energy: -0.537
local terms energy: -61.368415
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -9.553
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: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -142.647713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.647713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.647713 (E_RNA)
where:
Base-Base interactions energy: -79.645
where: short stacking energy: -39.751
Base-Backbone interact. energy: -0.242
local terms energy: -62.760450
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -7.313
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: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -83.185873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.185873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.185873 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -39.110
Base-Backbone interact. energy: -0.753
local terms energy: -43.322647
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -8.041
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -96.241818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.241818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.241818 (E_RNA)
where:
Base-Base interactions energy: -34.943
where: short stacking energy: -34.943
Base-Backbone interact. energy: -0.136
local terms energy: -61.163652
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -7.923
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: 61
Temperature: 1.350000
Total energy: -82.197497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.197497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.197497 (E_RNA)
where:
Base-Base interactions energy: -32.336
where: short stacking energy: -25.421
Base-Backbone interact. energy: -0.162
local terms energy: -49.699638
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: 0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -214.464771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.464771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.464771 (E_RNA)
where:
Base-Base interactions energy: -135.359
where: short stacking energy: -74.905
Base-Backbone interact. energy: -0.029
local terms energy: -79.076465
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -219.605119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.605119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.605119 (E_RNA)
where:
Base-Base interactions energy: -145.017
where: short stacking energy: -65.392
Base-Backbone interact. energy: -0.009
local terms energy: -74.579204
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -17.184
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: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -190.737665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.737665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.737665 (E_RNA)
where:
Base-Base interactions energy: -118.468
where: short stacking energy: -59.645
Base-Backbone interact. energy: -0.051
local terms energy: -72.218475
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -161.930954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.930954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.930954 (E_RNA)
where:
Base-Base interactions energy: -103.106
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.193
local terms energy: -58.632054
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -146.812335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.812335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.812335 (E_RNA)
where:
Base-Base interactions energy: -77.461
where: short stacking energy: -45.909
Base-Backbone interact. energy: -0.196
local terms energy: -69.155168
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -111.584149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.584149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.584149 (E_RNA)
where:
Base-Base interactions energy: -59.191
where: short stacking energy: -24.935
Base-Backbone interact. energy: 0.936
local terms energy: -53.328792
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -6.965
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: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -86.622183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.622183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.622183 (E_RNA)
where:
Base-Base interactions energy: -37.961
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.057
local terms energy: -48.603674
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -2.059
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: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -134.030391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.030391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.030391 (E_RNA)
where:
Base-Base interactions energy: -79.714
where: short stacking energy: -51.221
Base-Backbone interact. energy: 0.715
local terms energy: -55.031883
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -3.111
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -78.858714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.858714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.858714 (E_RNA)
where:
Base-Base interactions energy: -30.768
where: short stacking energy: -26.479
Base-Backbone interact. energy: -0.461
local terms energy: -47.629311
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -3.394
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: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -75.122618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.122618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.122618 (E_RNA)
where:
Base-Base interactions energy: -21.781
where: short stacking energy: -17.735
Base-Backbone interact. energy: 0.004
local terms energy: -53.344848
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -201.933499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.933499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.933499 (E_RNA)
where:
Base-Base interactions energy: -130.628
where: short stacking energy: -60.647
Base-Backbone interact. energy: -0.011
local terms energy: -71.294365
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -203.408463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.408463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.408463 (E_RNA)
where:
Base-Base interactions energy: -135.015
where: short stacking energy: -61.029
Base-Backbone interact. energy: -0.136
local terms energy: -68.257417
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -205.217794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.217794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.217794 (E_RNA)
where:
Base-Base interactions energy: -133.502
where: short stacking energy: -65.871
Base-Backbone interact. energy: -0.174
local terms energy: -71.541690
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -17.763
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: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -147.752187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.752187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.752187 (E_RNA)
where:
Base-Base interactions energy: -88.729
where: short stacking energy: -48.852
Base-Backbone interact. energy: -0.797
local terms energy: -58.225739
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -137.794345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.794345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.794345 (E_RNA)
where:
Base-Base interactions energy: -82.144
where: short stacking energy: -37.924
Base-Backbone interact. energy: -0.063
local terms energy: -55.587104
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -104.158603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.158603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.158603 (E_RNA)
where:
Base-Base interactions energy: -44.108
where: short stacking energy: -44.108
Base-Backbone interact. energy: -0.101
local terms energy: -59.949748
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -168.958819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.958819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.958819 (E_RNA)
where:
Base-Base interactions energy: -109.359
where: short stacking energy: -40.440
Base-Backbone interact. energy: -0.055
local terms energy: -59.545233
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -86.517980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.517980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.517980 (E_RNA)
where:
Base-Base interactions energy: -38.169
where: short stacking energy: -30.624
Base-Backbone interact. energy: -0.285
local terms energy: -48.063539
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -122.655482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.655482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.655482 (E_RNA)
where:
Base-Base interactions energy: -75.850
where: short stacking energy: -28.205
Base-Backbone interact. energy: -0.630
local terms energy: -46.175350
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -85.645853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.645853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.645853 (E_RNA)
where:
Base-Base interactions energy: -38.324
where: short stacking energy: -24.499
Base-Backbone interact. energy: -0.191
local terms energy: -47.130998
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -6.090
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: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -206.111857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.111857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.111857 (E_RNA)
where:
Base-Base interactions energy: -135.796
where: short stacking energy: -64.290
Base-Backbone interact. energy: 1.362
local terms energy: -71.678505
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -195.385100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.385100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.385100 (E_RNA)
where:
Base-Base interactions energy: -132.591
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.063
local terms energy: -62.731021
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -200.759227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.759227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.759227 (E_RNA)
where:
Base-Base interactions energy: -130.833
where: short stacking energy: -58.125
Base-Backbone interact. energy: -0.009
local terms energy: -69.917016
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -162.599927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.599927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.599927 (E_RNA)
where:
Base-Base interactions energy: -99.905
where: short stacking energy: -57.408
Base-Backbone interact. energy: -1.235
local terms energy: -61.460173
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -156.120037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.120037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.120037 (E_RNA)
where:
Base-Base interactions energy: -86.201
where: short stacking energy: -45.667
Base-Backbone interact. energy: -0.089
local terms energy: -69.830242
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -15.238
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: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -99.414687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.414687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.414687 (E_RNA)
where:
Base-Base interactions energy: -33.794
where: short stacking energy: -25.176
Base-Backbone interact. energy: -0.061
local terms energy: -65.559446
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -11.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -164.607345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.607345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.607345 (E_RNA)
where:
Base-Base interactions energy: -115.856
where: short stacking energy: -50.608
Base-Backbone interact. energy: -0.585
local terms energy: -48.166368
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -104.386835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.386835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.386835 (E_RNA)
where:
Base-Base interactions energy: -63.114
where: short stacking energy: -39.627
Base-Backbone interact. energy: -0.009
local terms energy: -41.264411
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -8.480
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -77.241310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.241310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.241310 (E_RNA)
where:
Base-Base interactions energy: -30.936
where: short stacking energy: -22.389
Base-Backbone interact. energy: 0.557
local terms energy: -46.861676
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: 1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -76.104654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.104654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.104654 (E_RNA)
where:
Base-Base interactions energy: -22.174
where: short stacking energy: -12.735
Base-Backbone interact. energy: -0.630
local terms energy: -53.300419
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -9.806
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: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -213.841249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.841249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.841249 (E_RNA)
where:
Base-Base interactions energy: -140.602
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.189
local terms energy: -73.050653
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -210.183332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.183332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.183332 (E_RNA)
where:
Base-Base interactions energy: -139.469
where: short stacking energy: -70.007
Base-Backbone interact. energy: -0.435
local terms energy: -70.278896
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -212.946425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.946425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.946425 (E_RNA)
where:
Base-Base interactions energy: -135.868
where: short stacking energy: -55.074
Base-Backbone interact. energy: -0.368
local terms energy: -76.710053
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -10.465
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: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -157.559810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.559810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.559810 (E_RNA)
where:
Base-Base interactions energy: -103.368
where: short stacking energy: -46.299
Base-Backbone interact. energy: -0.105
local terms energy: -54.086991
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -9.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -160.524825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.524825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.524825 (E_RNA)
where:
Base-Base interactions energy: -101.871
where: short stacking energy: -46.271
Base-Backbone interact. energy: -0.209
local terms energy: -58.445463
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -173.319596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.319596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.319596 (E_RNA)
where:
Base-Base interactions energy: -111.571
where: short stacking energy: -53.548
Base-Backbone interact. energy: -0.031
local terms energy: -61.717930
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -92.318880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.318880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.318880 (E_RNA)
where:
Base-Base interactions energy: -41.704
where: short stacking energy: -27.896
Base-Backbone interact. energy: -0.017
local terms energy: -50.598158
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -96.472187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.472187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.472187 (E_RNA)
where:
Base-Base interactions energy: -49.630
where: short stacking energy: -27.053
Base-Backbone interact. energy: -0.703
local terms energy: -46.138672
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -78.961426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.961426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.961426 (E_RNA)
where:
Base-Base interactions energy: -32.452
where: short stacking energy: -32.452
Base-Backbone interact. energy: -0.162
local terms energy: -46.347480
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -91.934618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.934618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.934618 (E_RNA)
where:
Base-Base interactions energy: -44.959
where: short stacking energy: -26.585
Base-Backbone interact. energy: -0.009
local terms energy: -46.966938
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -3.079
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -201.589660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.589660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.589660 (E_RNA)
where:
Base-Base interactions energy: -135.925
where: short stacking energy: -59.753
Base-Backbone interact. energy: -0.501
local terms energy: -65.164517
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -201.029694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.029694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.029694 (E_RNA)
where:
Base-Base interactions energy: -132.993
where: short stacking energy: -64.568
Base-Backbone interact. energy: -0.187
local terms energy: -67.849882
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -199.275173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.275173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.275173 (E_RNA)
where:
Base-Base interactions energy: -125.256
where: short stacking energy: -63.006
Base-Backbone interact. energy: -0.146
local terms energy: -73.873355
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -218.918189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.918189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.918189 (E_RNA)
where:
Base-Base interactions energy: -148.496
where: short stacking energy: -64.374
Base-Backbone interact. energy: 0.527
local terms energy: -70.949269
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -191.991039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.991039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.991039 (E_RNA)
where:
Base-Base interactions energy: -128.479
where: short stacking energy: -67.745
Base-Backbone interact. energy: -0.002
local terms energy: -63.510641
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -145.566134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.566134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.566134 (E_RNA)
where:
Base-Base interactions energy: -83.782
where: short stacking energy: -49.573
Base-Backbone interact. energy: -0.018
local terms energy: -61.765533
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -10.980
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: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -90.861922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.861922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.861922 (E_RNA)
where:
Base-Base interactions energy: -35.387
where: short stacking energy: -35.387
Base-Backbone interact. energy: -0.107
local terms energy: -55.367560
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -83.565836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.565836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.565836 (E_RNA)
where:
Base-Base interactions energy: -25.736
where: short stacking energy: -19.856
Base-Backbone interact. energy: -0.106
local terms energy: -57.723875
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -81.901957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.901957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.901957 (E_RNA)
where:
Base-Base interactions energy: -39.098
where: short stacking energy: -28.775
Base-Backbone interact. energy: -0.579
local terms energy: -42.225582
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -2.529
tors. eta vs tors. theta energy: 5.046
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: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -80.210792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.210792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.210792 (E_RNA)
where:
Base-Base interactions energy: -37.359
where: short stacking energy: -23.672
Base-Backbone interact. energy: 0.837
local terms energy: -43.688436
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -4.473
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -203.574815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.574815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.574815 (E_RNA)
where:
Base-Base interactions energy: -134.959
where: short stacking energy: -60.234
Base-Backbone interact. energy: 0.587
local terms energy: -69.202127
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -8.440
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: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -193.740085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.740085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.740085 (E_RNA)
where:
Base-Base interactions energy: -126.347
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.627
local terms energy: -66.766766
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -191.064616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.064616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.064616 (E_RNA)
where:
Base-Base interactions energy: -127.671
where: short stacking energy: -58.303
Base-Backbone interact. energy: 0.614
local terms energy: -64.007662
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -216.610752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.610752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.610752 (E_RNA)
where:
Base-Base interactions energy: -146.885
where: short stacking energy: -66.017
Base-Backbone interact. energy: -0.354
local terms energy: -69.371588
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -5.940
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: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -180.223164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.223164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.223164 (E_RNA)
where:
Base-Base interactions energy: -115.226
where: short stacking energy: -49.547
Base-Backbone interact. energy: 0.090
local terms energy: -65.087335
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -90.174908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.174908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.174908 (E_RNA)
where:
Base-Base interactions energy: -33.570
where: short stacking energy: -30.845
Base-Backbone interact. energy: -0.185
local terms energy: -56.419947
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -133.830527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.830527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.830527 (E_RNA)
where:
Base-Base interactions energy: -76.154
where: short stacking energy: -36.990
Base-Backbone interact. energy: -0.145
local terms energy: -57.531551
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -106.228543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.228543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.228543 (E_RNA)
where:
Base-Base interactions energy: -52.541
where: short stacking energy: -32.613
Base-Backbone interact. energy: -0.111
local terms energy: -53.576433
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -101.177466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.177466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.177466 (E_RNA)
where:
Base-Base interactions energy: -48.938
where: short stacking energy: -34.337
Base-Backbone interact. energy: -0.218
local terms energy: -52.022159
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -77.036230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.036230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.036230 (E_RNA)
where:
Base-Base interactions energy: -29.543
where: short stacking energy: -26.533
Base-Backbone interact. energy: 0.433
local terms energy: -47.926558
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: 2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -205.463879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.463879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.463879 (E_RNA)
where:
Base-Base interactions energy: -135.195
where: short stacking energy: -65.509
Base-Backbone interact. energy: -0.038
local terms energy: -70.230455
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -205.711437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.711437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.711437 (E_RNA)
where:
Base-Base interactions energy: -130.586
where: short stacking energy: -71.243
Base-Backbone interact. energy: -0.002
local terms energy: -75.123916
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -192.561418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.561418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.561418 (E_RNA)
where:
Base-Base interactions energy: -125.751
where: short stacking energy: -60.706
Base-Backbone interact. energy: 0.556
local terms energy: -67.367238
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -195.592587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.592587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.592587 (E_RNA)
where:
Base-Base interactions energy: -126.674
where: short stacking energy: -53.390
Base-Backbone interact. energy: -0.333
local terms energy: -68.586286
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -181.815448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.815448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.815448 (E_RNA)
where:
Base-Base interactions energy: -118.208
where: short stacking energy: -52.914
Base-Backbone interact. energy: -0.125
local terms energy: -63.482715
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -103.545847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.545847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.545847 (E_RNA)
where:
Base-Base interactions energy: -44.068
where: short stacking energy: -37.284
Base-Backbone interact. energy: -0.227
local terms energy: -59.251505
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -5.165
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: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -96.169710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.169710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.169710 (E_RNA)
where:
Base-Base interactions energy: -48.016
where: short stacking energy: -36.570
Base-Backbone interact. energy: 2.430
local terms energy: -50.584350
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -90.475654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.475654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.475654 (E_RNA)
where:
Base-Base interactions energy: -35.421
where: short stacking energy: -32.668
Base-Backbone interact. energy: -0.214
local terms energy: -54.839681
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -7.960
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -77.285075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.285075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.285075 (E_RNA)
where:
Base-Base interactions energy: -25.440
where: short stacking energy: -25.383
Base-Backbone interact. energy: -0.181
local terms energy: -51.664449
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -78.414919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.414919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.414919 (E_RNA)
where:
Base-Base interactions energy: -27.852
where: short stacking energy: -26.967
Base-Backbone interact. energy: 1.503
local terms energy: -52.066574
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -212.825473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.825473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.825473 (E_RNA)
where:
Base-Base interactions energy: -136.843
where: short stacking energy: -73.392
Base-Backbone interact. energy: -0.136
local terms energy: -75.846575
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -197.419151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.419151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.419151 (E_RNA)
where:
Base-Base interactions energy: -121.995
where: short stacking energy: -62.364
Base-Backbone interact. energy: -0.034
local terms energy: -75.390584
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -8.461
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: 3, replica: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -195.148243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.148243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.148243 (E_RNA)
where:
Base-Base interactions energy: -127.737
where: short stacking energy: -48.940
Base-Backbone interact. energy: -0.789
local terms energy: -66.622220
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -185.591815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.591815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.591815 (E_RNA)
where:
Base-Base interactions energy: -117.843
where: short stacking energy: -49.154
Base-Backbone interact. energy: 1.262
local terms energy: -69.010546
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -11.877
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: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -187.668882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.668882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.668882 (E_RNA)
where:
Base-Base interactions energy: -124.015
where: short stacking energy: -59.994
Base-Backbone interact. energy: -0.383
local terms energy: -63.271487
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -16.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -90.693549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.693549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.693549 (E_RNA)
where:
Base-Base interactions energy: -38.888
where: short stacking energy: -38.141
Base-Backbone interact. energy: -0.121
local terms energy: -51.684779
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -93.370330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.370330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.370330 (E_RNA)
where:
Base-Base interactions energy: -36.334
where: short stacking energy: -29.737
Base-Backbone interact. energy: 0.137
local terms energy: -57.173852
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -80.692627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.692627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.692627 (E_RNA)
where:
Base-Base interactions energy: -36.168
where: short stacking energy: -31.451
Base-Backbone interact. energy: -0.123
local terms energy: -44.401037
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -7.461
flat angles P-C4'-P energy: -7.396
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: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -88.514579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.514579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.514579 (E_RNA)
where:
Base-Base interactions energy: -30.370
where: short stacking energy: -23.670
Base-Backbone interact. energy: -0.300
local terms energy: -57.844549
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -84.660455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.660455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.660455 (E_RNA)
where:
Base-Base interactions energy: -25.632
where: short stacking energy: -21.370
Base-Backbone interact. energy: -0.853
local terms energy: -58.175624
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -200.896457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.896457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.896457 (E_RNA)
where:
Base-Base interactions energy: -126.158
where: short stacking energy: -56.405
Base-Backbone interact. energy: -0.788
local terms energy: -73.950340
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -199.399071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.399071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.399071 (E_RNA)
where:
Base-Base interactions energy: -131.961
where: short stacking energy: -71.503
Base-Backbone interact. energy: -0.006
local terms energy: -67.431988
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -200.621412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.621412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.621412 (E_RNA)
where:
Base-Base interactions energy: -140.809
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.391
local terms energy: -59.422130
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -186.836540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.836540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.836540 (E_RNA)
where:
Base-Base interactions energy: -125.032
where: short stacking energy: -55.590
Base-Backbone interact. energy: 2.374
local terms energy: -64.178342
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -9.857
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: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -161.751392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.751392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.751392 (E_RNA)
where:
Base-Base interactions energy: -101.171
where: short stacking energy: -41.442
Base-Backbone interact. energy: 0.409
local terms energy: -60.989955
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -101.166316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.166316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.166316 (E_RNA)
where:
Base-Base interactions energy: -42.938
where: short stacking energy: -38.156
Base-Backbone interact. energy: -0.915
local terms energy: -57.312992
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -7.378
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: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -105.559671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.559671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.559671 (E_RNA)
where:
Base-Base interactions energy: -48.876
where: short stacking energy: -39.097
Base-Backbone interact. energy: -1.196
local terms energy: -55.487261
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -6.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -92.217569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.217569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.217569 (E_RNA)
where:
Base-Base interactions energy: -36.604
where: short stacking energy: -35.188
Base-Backbone interact. energy: -0.335
local terms energy: -55.279009
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -86.451754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.451754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.451754 (E_RNA)
where:
Base-Base interactions energy: -33.607
where: short stacking energy: -24.478
Base-Backbone interact. energy: -0.352
local terms energy: -52.492673
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -80.897075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.897075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.897075 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -27.897
Base-Backbone interact. energy: -0.103
local terms energy: -43.313785
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -2.021
tors. eta vs tors. theta energy: -3.000
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: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -192.771317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.771317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.771317 (E_RNA)
where:
Base-Base interactions energy: -120.457
where: short stacking energy: -60.211
Base-Backbone interact. energy: -0.065
local terms energy: -72.249058
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -11.823
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: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -202.157949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.157949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.157949 (E_RNA)
where:
Base-Base interactions energy: -128.180
where: short stacking energy: -54.908
Base-Backbone interact. energy: -0.595
local terms energy: -73.383443
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -193.867171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.867171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.867171 (E_RNA)
where:
Base-Base interactions energy: -126.899
where: short stacking energy: -57.109
Base-Backbone interact. energy: -0.086
local terms energy: -66.882637
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -198.266940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.266940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.266940 (E_RNA)
where:
Base-Base interactions energy: -125.465
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.186
local terms energy: -72.615547
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -154.103490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.103490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.103490 (E_RNA)
where:
Base-Base interactions energy: -94.838
where: short stacking energy: -45.103
Base-Backbone interact. energy: -0.046
local terms energy: -59.219663
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -137.624070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.624070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.624070 (E_RNA)
where:
Base-Base interactions energy: -78.478
where: short stacking energy: -26.444
Base-Backbone interact. energy: 0.793
local terms energy: -59.939497
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -96.719247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.719247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.719247 (E_RNA)
where:
Base-Base interactions energy: -35.154
where: short stacking energy: -30.471
Base-Backbone interact. energy: -0.207
local terms energy: -61.358318
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.130
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: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -85.471285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.471285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.471285 (E_RNA)
where:
Base-Base interactions energy: -42.942
where: short stacking energy: -25.287
Base-Backbone interact. energy: -0.129
local terms energy: -42.400473
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -1.566
tors. eta vs tors. theta energy: 0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -91.521801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.521801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.521801 (E_RNA)
where:
Base-Base interactions energy: -40.360
where: short stacking energy: -38.185
Base-Backbone interact. energy: -0.043
local terms energy: -51.118059
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -86.188946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.188946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.188946 (E_RNA)
where:
Base-Base interactions energy: -37.268
where: short stacking energy: -21.164
Base-Backbone interact. energy: -0.208
local terms energy: -48.712828
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -208.141204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.141204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.141204 (E_RNA)
where:
Base-Base interactions energy: -144.234
where: short stacking energy: -65.286
Base-Backbone interact. energy: -0.398
local terms energy: -63.509316
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -193.586937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.586937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.586937 (E_RNA)
where:
Base-Base interactions energy: -128.504
where: short stacking energy: -62.319
Base-Backbone interact. energy: -0.011
local terms energy: -65.072366
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -198.714241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.714241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.714241 (E_RNA)
where:
Base-Base interactions energy: -121.340
where: short stacking energy: -64.904
Base-Backbone interact. energy: -0.116
local terms energy: -77.259113
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -12.696
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: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -183.023012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.023012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.023012 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -52.514
Base-Backbone interact. energy: -1.340
local terms energy: -66.259204
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -146.325549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.325549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.325549 (E_RNA)
where:
Base-Base interactions energy: -83.854
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.012
local terms energy: -62.459821
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -135.920391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.920391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.920391 (E_RNA)
where:
Base-Base interactions energy: -79.310
where: short stacking energy: -36.413
Base-Backbone interact. energy: -0.584
local terms energy: -56.026996
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -86.987740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.987740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.987740 (E_RNA)
where:
Base-Base interactions energy: -28.743
where: short stacking energy: -23.305
Base-Backbone interact. energy: -0.014
local terms energy: -58.230745
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -95.067426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.067426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.067426 (E_RNA)
where:
Base-Base interactions energy: -44.165
where: short stacking energy: -33.572
Base-Backbone interact. energy: -1.300
local terms energy: -49.602445
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -7.107
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -81.779900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.779900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.779900 (E_RNA)
where:
Base-Base interactions energy: -31.742
where: short stacking energy: -30.878
Base-Backbone interact. energy: -0.157
local terms energy: -49.881394
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -66.999886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.999886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.999886 (E_RNA)
where:
Base-Base interactions energy: -26.329
where: short stacking energy: -25.093
Base-Backbone interact. energy: 2.821
local terms energy: -43.491469
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: 2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -206.670551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.670551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.670551 (E_RNA)
where:
Base-Base interactions energy: -128.799
where: short stacking energy: -61.736
Base-Backbone interact. energy: -0.042
local terms energy: -77.829604
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -197.930694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.930694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.930694 (E_RNA)
where:
Base-Base interactions energy: -126.822
where: short stacking energy: -60.308
Base-Backbone interact. energy: -1.343
local terms energy: -69.765649
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -187.691332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.691332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.691332 (E_RNA)
where:
Base-Base interactions energy: -120.658
where: short stacking energy: -55.267
Base-Backbone interact. energy: -0.050
local terms energy: -66.983035
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -198.684208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.684208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.684208 (E_RNA)
where:
Base-Base interactions energy: -132.231
where: short stacking energy: -55.952
Base-Backbone interact. energy: 0.053
local terms energy: -66.505717
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -140.887271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.887271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.887271 (E_RNA)
where:
Base-Base interactions energy: -87.745
where: short stacking energy: -40.239
Base-Backbone interact. energy: 0.016
local terms energy: -53.157929
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -6.319
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: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -145.775754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.775754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.775754 (E_RNA)
where:
Base-Base interactions energy: -87.546
where: short stacking energy: -52.889
Base-Backbone interact. energy: -0.109
local terms energy: -58.120778
where:
bonds (distance) C4'-P energy: -6.014
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -13.743
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: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -89.776430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.776430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.776430 (E_RNA)
where:
Base-Base interactions energy: -41.518
where: short stacking energy: -30.460
Base-Backbone interact. energy: -0.177
local terms energy: -48.081077
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -4.693
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: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -88.846595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.846595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.846595 (E_RNA)
where:
Base-Base interactions energy: -51.066
where: short stacking energy: -33.689
Base-Backbone interact. energy: 0.159
local terms energy: -37.939430
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -0.209
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -94.951783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.951783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.951783 (E_RNA)
where:
Base-Base interactions energy: -43.320
where: short stacking energy: -43.320
Base-Backbone interact. energy: -0.040
local terms energy: -51.591992
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -9.270
flat angles P-C4'-P energy: -4.380
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: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -74.743297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.743297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.743297 (E_RNA)
where:
Base-Base interactions energy: -26.387
where: short stacking energy: -26.387
Base-Backbone interact. energy: -0.110
local terms energy: -48.246154
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -221.041517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.041517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.041517 (E_RNA)
where:
Base-Base interactions energy: -151.298
where: short stacking energy: -60.632
Base-Backbone interact. energy: 0.367
local terms energy: -70.109911
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -205.733943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.733943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.733943 (E_RNA)
where:
Base-Base interactions energy: -138.094
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.114
local terms energy: -67.526451
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -198.018315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.018315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.018315 (E_RNA)
where:
Base-Base interactions energy: -122.450
where: short stacking energy: -61.818
Base-Backbone interact. energy: 1.281
local terms energy: -76.849330
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -13.694
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: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -186.414356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.414356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.414356 (E_RNA)
where:
Base-Base interactions energy: -125.207
where: short stacking energy: -58.330
Base-Backbone interact. energy: 0.834
local terms energy: -62.041740
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -140.169408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.169408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.169408 (E_RNA)
where:
Base-Base interactions energy: -72.158
where: short stacking energy: -45.406
Base-Backbone interact. energy: -0.178
local terms energy: -67.834027
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -148.607197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.607197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.607197 (E_RNA)
where:
Base-Base interactions energy: -82.300
where: short stacking energy: -44.463
Base-Backbone interact. energy: -0.018
local terms energy: -66.288719
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -11.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -91.970974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.970974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.970974 (E_RNA)
where:
Base-Base interactions energy: -39.361
where: short stacking energy: -34.975
Base-Backbone interact. energy: -0.054
local terms energy: -52.556078
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -3.537
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -87.682613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.682613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.682613 (E_RNA)
where:
Base-Base interactions energy: -37.182
where: short stacking energy: -37.182
Base-Backbone interact. energy: -0.047
local terms energy: -50.453007
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -5.841
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: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -87.009296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.009296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.009296 (E_RNA)
where:
Base-Base interactions energy: -29.265
where: short stacking energy: -29.265
Base-Backbone interact. energy: 0.296
local terms energy: -58.039801
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -84.970154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.970154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.970154 (E_RNA)
where:
Base-Base interactions energy: -28.353
where: short stacking energy: -28.353
Base-Backbone interact. energy: -0.039
local terms energy: -56.578321
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -218.528497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.528497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.528497 (E_RNA)
where:
Base-Base interactions energy: -143.778
where: short stacking energy: -63.648
Base-Backbone interact. energy: -0.003
local terms energy: -74.747934
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -213.868050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.868050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.868050 (E_RNA)
where:
Base-Base interactions energy: -140.885
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.791
local terms energy: -72.192068
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.624
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: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -201.978198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.978198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.978198 (E_RNA)
where:
Base-Base interactions energy: -132.664
where: short stacking energy: -60.863
Base-Backbone interact. energy: -0.152
local terms energy: -69.162864
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -189.397141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.397141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.397141 (E_RNA)
where:
Base-Base interactions energy: -124.374
where: short stacking energy: -59.236
Base-Backbone interact. energy: -0.016
local terms energy: -65.007383
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -12.140
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: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -101.424006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.424006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.424006 (E_RNA)
where:
Base-Base interactions energy: -44.334
where: short stacking energy: -38.051
Base-Backbone interact. energy: -0.064
local terms energy: -57.025731
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -136.027479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.027479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.027479 (E_RNA)
where:
Base-Base interactions energy: -75.215
where: short stacking energy: -39.412
Base-Backbone interact. energy: -0.709
local terms energy: -60.103390
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -5.232
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: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -90.356656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.356656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.356656 (E_RNA)
where:
Base-Base interactions energy: -37.863
where: short stacking energy: -37.863
Base-Backbone interact. energy: -0.084
local terms energy: -52.410132
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -6.818
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: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -96.041820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.041820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.041820 (E_RNA)
where:
Base-Base interactions energy: -43.212
where: short stacking energy: -28.869
Base-Backbone interact. energy: -0.144
local terms energy: -52.685896
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -88.111439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.111439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.111439 (E_RNA)
where:
Base-Base interactions energy: -38.363
where: short stacking energy: -38.363
Base-Backbone interact. energy: -0.021
local terms energy: -49.726882
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -8.238
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -78.873490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.873490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.873490 (E_RNA)
where:
Base-Base interactions energy: -33.459
where: short stacking energy: -31.239
Base-Backbone interact. energy: -0.099
local terms energy: -45.315997
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -4.265
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -222.698410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.698410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.698410 (E_RNA)
where:
Base-Base interactions energy: -152.948
where: short stacking energy: -64.749
Base-Backbone interact. energy: -0.379
local terms energy: -69.370632
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -6.398
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: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -212.009667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.009667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.009667 (E_RNA)
where:
Base-Base interactions energy: -148.185
where: short stacking energy: -60.058
Base-Backbone interact. energy: -0.133
local terms energy: -63.691864
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -3.195
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -190.554113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.554113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.554113 (E_RNA)
where:
Base-Base interactions energy: -126.900
where: short stacking energy: -56.485
Base-Backbone interact. energy: -0.079
local terms energy: -63.575291
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -13.603
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: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -194.932498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.932498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.932498 (E_RNA)
where:
Base-Base interactions energy: -134.080
where: short stacking energy: -55.258
Base-Backbone interact. energy: 0.478
local terms energy: -61.330739
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -146.114970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.114970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.114970 (E_RNA)
where:
Base-Base interactions energy: -89.123
where: short stacking energy: -44.366
Base-Backbone interact. energy: -0.265
local terms energy: -56.727088
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -9.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -112.838667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.838667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.838667 (E_RNA)
where:
Base-Base interactions energy: -50.890
where: short stacking energy: -50.890
Base-Backbone interact. energy: -0.686
local terms energy: -61.261842
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -107.585081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.585081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.585081 (E_RNA)
where:
Base-Base interactions energy: -52.254
where: short stacking energy: -32.512
Base-Backbone interact. energy: 2.756
local terms energy: -58.086982
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -84.673808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.673808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.673808 (E_RNA)
where:
Base-Base interactions energy: -32.055
where: short stacking energy: -32.055
Base-Backbone interact. energy: -0.141
local terms energy: -52.478231
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -5.087
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: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -78.058011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.058011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.058011 (E_RNA)
where:
Base-Base interactions energy: -26.063
where: short stacking energy: -25.892
Base-Backbone interact. energy: -0.246
local terms energy: -51.749002
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: 2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -75.568317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.568317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.568317 (E_RNA)
where:
Base-Base interactions energy: -25.494
where: short stacking energy: -24.213
Base-Backbone interact. energy: -1.680
local terms energy: -48.394688
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -7.401
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: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -219.404976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.404976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.404976 (E_RNA)
where:
Base-Base interactions energy: -152.262
where: short stacking energy: -65.901
Base-Backbone interact. energy: 0.377
local terms energy: -67.520043
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -196.067976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.067976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.067976 (E_RNA)
where:
Base-Base interactions energy: -128.531
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.283
local terms energy: -67.254273
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: -16.413
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: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -190.809173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.809173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.809173 (E_RNA)
where:
Base-Base interactions energy: -127.792
where: short stacking energy: -60.899
Base-Backbone interact. energy: -0.065
local terms energy: -62.952019
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -194.523066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.523066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.523066 (E_RNA)
where:
Base-Base interactions energy: -132.416
where: short stacking energy: -47.762
Base-Backbone interact. energy: -0.107
local terms energy: -62.000344
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -11.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -141.578581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.578581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.578581 (E_RNA)
where:
Base-Base interactions energy: -90.948
where: short stacking energy: -41.306
Base-Backbone interact. energy: -0.346
local terms energy: -50.284453
where:
bonds (distance) C4'-P energy: -8.475
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -4.851
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: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -114.801775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.801775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.801775 (E_RNA)
where:
Base-Base interactions energy: -51.189
where: short stacking energy: -47.152
Base-Backbone interact. energy: 0.238
local terms energy: -63.850783
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -10.021
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: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -102.518140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.518140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.518140 (E_RNA)
where:
Base-Base interactions energy: -59.144
where: short stacking energy: -26.926
Base-Backbone interact. energy: -0.166
local terms energy: -43.208191
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -7.249
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: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -88.964650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.964650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.964650 (E_RNA)
where:
Base-Base interactions energy: -28.693
where: short stacking energy: -27.989
Base-Backbone interact. energy: 1.130
local terms energy: -61.401924
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -76.189207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.189207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.189207 (E_RNA)
where:
Base-Base interactions energy: -29.998
where: short stacking energy: -25.871
Base-Backbone interact. energy: 0.054
local terms energy: -46.244755
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -8.440
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: 2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -86.379996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.379996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.379996 (E_RNA)
where:
Base-Base interactions energy: -35.118
where: short stacking energy: -32.576
Base-Backbone interact. energy: -0.179
local terms energy: -51.083694
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -6.302
flat angles P-C4'-P energy: -3.066
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -200.702513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.702513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.702513 (E_RNA)
where:
Base-Base interactions energy: -129.499
where: short stacking energy: -65.785
Base-Backbone interact. energy: -0.839
local terms energy: -70.364733
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -15.741
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: 78
Temperature: 0.950000
Total energy: -210.712767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.712767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.712767 (E_RNA)
where:
Base-Base interactions energy: -141.514
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.323
local terms energy: -68.875716
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -195.525823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.525823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.525823 (E_RNA)
where:
Base-Base interactions energy: -127.244
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.023
local terms energy: -68.259461
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -13.330
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: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -171.869864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.869864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.869864 (E_RNA)
where:
Base-Base interactions energy: -109.879
where: short stacking energy: -55.625
Base-Backbone interact. energy: -0.889
local terms energy: -61.102091
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -110.521709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.521709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.521709 (E_RNA)
where:
Base-Base interactions energy: -42.574
where: short stacking energy: -42.225
Base-Backbone interact. energy: -0.000
local terms energy: -67.947536
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -10.529
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: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -131.528798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.528798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.528798 (E_RNA)
where:
Base-Base interactions energy: -79.791
where: short stacking energy: -40.432
Base-Backbone interact. energy: -0.512
local terms energy: -51.225980
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -91.264690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.264690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.264690 (E_RNA)
where:
Base-Base interactions energy: -41.140
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.161
local terms energy: -49.963974
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -97.858097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.858097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.858097 (E_RNA)
where:
Base-Base interactions energy: -48.291
where: short stacking energy: -30.167
Base-Backbone interact. energy: -0.042
local terms energy: -49.525627
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -81.049754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.049754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.049754 (E_RNA)
where:
Base-Base interactions energy: -26.843
where: short stacking energy: -17.080
Base-Backbone interact. energy: -0.200
local terms energy: -54.006661
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -83.587293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.587293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.587293 (E_RNA)
where:
Base-Base interactions energy: -40.346
where: short stacking energy: -36.226
Base-Backbone interact. energy: -0.181
local terms energy: -43.060879
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -8.671
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -7.595
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: 10
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -204.433845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.433845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.433845 (E_RNA)
where:
Base-Base interactions energy: -130.599
where: short stacking energy: -67.371
Base-Backbone interact. energy: 0.165
local terms energy: -73.999867
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -199.044143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.044143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.044143 (E_RNA)
where:
Base-Base interactions energy: -126.795
where: short stacking energy: -70.097
Base-Backbone interact. energy: -0.006
local terms energy: -72.243492
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -16.863
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: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -191.559448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.559448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.559448 (E_RNA)
where:
Base-Base interactions energy: -127.455
where: short stacking energy: -63.683
Base-Backbone interact. energy: -0.032
local terms energy: -64.071632
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -181.463943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.463943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.463943 (E_RNA)
where:
Base-Base interactions energy: -124.143
where: short stacking energy: -53.831
Base-Backbone interact. energy: -0.523
local terms energy: -56.798061
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -12.103
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: 79
Temperature: 1.100000
Total energy: -121.235243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.235243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.235243 (E_RNA)
where:
Base-Base interactions energy: -65.827
where: short stacking energy: -48.364
Base-Backbone interact. energy: -0.579
local terms energy: -54.829198
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: 0.275
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -98.262897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.262897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.262897 (E_RNA)
where:
Base-Base interactions energy: -35.990
where: short stacking energy: -35.990
Base-Backbone interact. energy: -0.008
local terms energy: -62.265201
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -131.161668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.161668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.161668 (E_RNA)
where:
Base-Base interactions energy: -67.472
where: short stacking energy: -36.734
Base-Backbone interact. energy: -0.333
local terms energy: -63.356484
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -99.488498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.488498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.488498 (E_RNA)
where:
Base-Base interactions energy: -43.738
where: short stacking energy: -28.290
Base-Backbone interact. energy: -0.345
local terms energy: -55.405164
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -79.354792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.354792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.354792 (E_RNA)
where:
Base-Base interactions energy: -29.534
where: short stacking energy: -26.214
Base-Backbone interact. energy: -0.034
local terms energy: -49.786946
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -6.051
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: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -78.912158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.912158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.912158 (E_RNA)
where:
Base-Base interactions energy: -24.305
where: short stacking energy: -24.305
Base-Backbone interact. energy: -0.124
local terms energy: -54.483532
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -201.222291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.222291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.222291 (E_RNA)
where:
Base-Base interactions energy: -132.263
where: short stacking energy: -54.482
Base-Backbone interact. energy: -0.158
local terms energy: -68.802125
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -12.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -195.256628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.256628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.256628 (E_RNA)
where:
Base-Base interactions energy: -128.450
where: short stacking energy: -67.198
Base-Backbone interact. energy: -0.003
local terms energy: -66.803972
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -190.218932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.218932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.218932 (E_RNA)
where:
Base-Base interactions energy: -121.950
where: short stacking energy: -52.765
Base-Backbone interact. energy: -0.008
local terms energy: -68.260414
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -187.516634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.516634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.516634 (E_RNA)
where:
Base-Base interactions energy: -118.070
where: short stacking energy: -54.815
Base-Backbone interact. energy: -0.072
local terms energy: -69.374085
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -12.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -112.779915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.779915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.779915 (E_RNA)
where:
Base-Base interactions energy: -57.625
where: short stacking energy: -36.031
Base-Backbone interact. energy: -0.341
local terms energy: -54.814282
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -6.277
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: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -92.345872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.345872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.345872 (E_RNA)
where:
Base-Base interactions energy: -42.959
where: short stacking energy: -32.648
Base-Backbone interact. energy: 0.041
local terms energy: -49.428150
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -2.972
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: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -140.153376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.153376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.153376 (E_RNA)
where:
Base-Base interactions energy: -80.953
where: short stacking energy: -44.438
Base-Backbone interact. energy: 0.822
local terms energy: -60.021591
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -8.210
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: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -83.397488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.397488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.397488 (E_RNA)
where:
Base-Base interactions energy: -40.224
where: short stacking energy: -26.328
Base-Backbone interact. energy: -0.440
local terms energy: -42.733242
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -4.211
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -98.996559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.996559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.996559 (E_RNA)
where:
Base-Base interactions energy: -53.819
where: short stacking energy: -26.703
Base-Backbone interact. energy: -0.359
local terms energy: -44.818224
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: 1.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -79.306657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.306657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.306657 (E_RNA)
where:
Base-Base interactions energy: -22.415
where: short stacking energy: -19.031
Base-Backbone interact. energy: 1.626
local terms energy: -58.518053
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -205.384601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.384601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.384601 (E_RNA)
where:
Base-Base interactions energy: -129.577
where: short stacking energy: -68.535
Base-Backbone interact. energy: -0.005
local terms energy: -75.802412
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -204.680277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.680277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.680277 (E_RNA)
where:
Base-Base interactions energy: -129.190
where: short stacking energy: -62.286
Base-Backbone interact. energy: -0.003
local terms energy: -75.487223
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -189.841640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.841640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.841640 (E_RNA)
where:
Base-Base interactions energy: -121.251
where: short stacking energy: -57.117
Base-Backbone interact. energy: 2.001
local terms energy: -70.592157
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -180.084054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.084054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.084054 (E_RNA)
where:
Base-Base interactions energy: -111.751
where: short stacking energy: -49.070
Base-Backbone interact. energy: -0.106
local terms energy: -68.227250
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -5.291
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: 81
Temperature: 1.100000
Total energy: -109.336780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.336780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.336780 (E_RNA)
where:
Base-Base interactions energy: -49.670
where: short stacking energy: -49.670
Base-Backbone interact. energy: -0.002
local terms energy: -59.664420
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -6.860
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: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -117.903882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.903882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.903882 (E_RNA)
where:
Base-Base interactions energy: -61.420
where: short stacking energy: -34.417
Base-Backbone interact. energy: -0.289
local terms energy: -56.195119
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -107.557899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.557899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.557899 (E_RNA)
where:
Base-Base interactions energy: -56.913
where: short stacking energy: -35.201
Base-Backbone interact. energy: 0.162
local terms energy: -50.806771
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -89.361134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.361134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.361134 (E_RNA)
where:
Base-Base interactions energy: -37.324
where: short stacking energy: -37.324
Base-Backbone interact. energy: -0.150
local terms energy: -51.887569
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -5.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -89.876668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.876668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.876668 (E_RNA)
where:
Base-Base interactions energy: -42.205
where: short stacking energy: -21.894
Base-Backbone interact. energy: -0.913
local terms energy: -46.758934
where:
bonds (distance) C4'-P energy: -7.127
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -72.543086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.543086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.543086 (E_RNA)
where:
Base-Base interactions energy: -21.406
where: short stacking energy: -19.258
Base-Backbone interact. energy: -2.297
local terms energy: -48.840516
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: 1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -208.395793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.395793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.395793 (E_RNA)
where:
Base-Base interactions energy: -139.155
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.667
local terms energy: -68.574309
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -209.891755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.891755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.891755 (E_RNA)
where:
Base-Base interactions energy: -140.858
where: short stacking energy: -56.192
Base-Backbone interact. energy: -1.785
local terms energy: -67.249619
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -193.968414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.968414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.968414 (E_RNA)
where:
Base-Base interactions energy: -126.879
where: short stacking energy: -68.908
Base-Backbone interact. energy: -0.001
local terms energy: -67.088006
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -201.846776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.846776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.846776 (E_RNA)
where:
Base-Base interactions energy: -132.044
where: short stacking energy: -73.685
Base-Backbone interact. energy: -0.001
local terms energy: -69.801244
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -147.520491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.520491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.520491 (E_RNA)
where:
Base-Base interactions energy: -93.421
where: short stacking energy: -42.975
Base-Backbone interact. energy: -0.065
local terms energy: -54.034219
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -9.630
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: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -103.611214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.611214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.611214 (E_RNA)
where:
Base-Base interactions energy: -49.175
where: short stacking energy: -38.118
Base-Backbone interact. energy: -0.049
local terms energy: -54.387137
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -7.887
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -88.280966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.280966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.280966 (E_RNA)
where:
Base-Base interactions energy: -35.468
where: short stacking energy: -35.468
Base-Backbone interact. energy: -0.127
local terms energy: -52.686282
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -6.907
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: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -86.042899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.042899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.042899 (E_RNA)
where:
Base-Base interactions energy: -37.710
where: short stacking energy: -29.720
Base-Backbone interact. energy: -0.416
local terms energy: -47.917134
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -5.845
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -3.097
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: 82
Temperature: 1.300000
Total energy: -70.708743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.708743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.708743 (E_RNA)
where:
Base-Base interactions energy: -24.164
where: short stacking energy: -24.164
Base-Backbone interact. energy: -0.080
local terms energy: -46.464432
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -4.087
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -98.602647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.602647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.602647 (E_RNA)
where:
Base-Base interactions energy: -58.634
where: short stacking energy: -30.043
Base-Backbone interact. energy: -0.250
local terms energy: -39.718730
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -7.789
flat angles C4'-P-C4' energy: -8.397
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -204.475251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.475251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.475251 (E_RNA)
where:
Base-Base interactions energy: -135.639
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.038
local terms energy: -68.797865
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -196.199374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.199374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.199374 (E_RNA)
where:
Base-Base interactions energy: -132.711
where: short stacking energy: -54.846
Base-Backbone interact. energy: -0.943
local terms energy: -62.545416
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -12.258
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: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -201.214333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.214333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.214333 (E_RNA)
where:
Base-Base interactions energy: -125.255
where: short stacking energy: -66.203
Base-Backbone interact. energy: -0.000
local terms energy: -75.958794
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -22.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -191.102580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.102580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.102580 (E_RNA)
where:
Base-Base interactions energy: -120.427
where: short stacking energy: -59.492
Base-Backbone interact. energy: -0.082
local terms energy: -70.593456
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -131.600416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.600416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.600416 (E_RNA)
where:
Base-Base interactions energy: -81.799
where: short stacking energy: -45.643
Base-Backbone interact. energy: -0.142
local terms energy: -49.659137
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -8.289
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -9.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -96.552329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.552329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.552329 (E_RNA)
where:
Base-Base interactions energy: -41.550
where: short stacking energy: -39.404
Base-Backbone interact. energy: -0.024
local terms energy: -54.977511
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -86.496978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.496978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.496978 (E_RNA)
where:
Base-Base interactions energy: -36.542
where: short stacking energy: -34.304
Base-Backbone interact. energy: -0.119
local terms energy: -49.835071
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -93.306630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.306630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.306630 (E_RNA)
where:
Base-Base interactions energy: -32.338
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.056
local terms energy: -60.912598
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -82.221808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.221808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.221808 (E_RNA)
where:
Base-Base interactions energy: -35.263
where: short stacking energy: -31.817
Base-Backbone interact. energy: 1.348
local terms energy: -48.307154
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -6.358
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -80.459424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.459424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.459424 (E_RNA)
where:
Base-Base interactions energy: -25.846
where: short stacking energy: -25.783
Base-Backbone interact. energy: -0.120
local terms energy: -54.493697
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -197.823682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.823682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.823682 (E_RNA)
where:
Base-Base interactions energy: -131.249
where: short stacking energy: -59.179
Base-Backbone interact. energy: 0.119
local terms energy: -66.694075
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -204.357571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.357571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.357571 (E_RNA)
where:
Base-Base interactions energy: -131.836
where: short stacking energy: -70.495
Base-Backbone interact. energy: -0.292
local terms energy: -72.229728
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -18.253
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: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -204.358943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.358943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.358943 (E_RNA)
where:
Base-Base interactions energy: -130.852
where: short stacking energy: -63.071
Base-Backbone interact. energy: -0.112
local terms energy: -73.395321
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -8.135
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: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -186.384328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.384328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.384328 (E_RNA)
where:
Base-Base interactions energy: -117.002
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.004
local terms energy: -69.378976
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -14.613
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: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -132.627824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.627824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.627824 (E_RNA)
where:
Base-Base interactions energy: -76.273
where: short stacking energy: -28.203
Base-Backbone interact. energy: 1.061
local terms energy: -57.415986
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -118.853867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.853867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.853867 (E_RNA)
where:
Base-Base interactions energy: -71.259
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.468
local terms energy: -47.126524
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -86.232837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.232837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.232837 (E_RNA)
where:
Base-Base interactions energy: -34.804
where: short stacking energy: -32.986
Base-Backbone interact. energy: -0.040
local terms energy: -51.389603
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -0.763
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: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -88.224328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.224328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.224328 (E_RNA)
where:
Base-Base interactions energy: -31.525
where: short stacking energy: -31.225
Base-Backbone interact. energy: -0.196
local terms energy: -56.503244
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -5.864
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: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -84.694060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.694060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.694060 (E_RNA)
where:
Base-Base interactions energy: -47.970
where: short stacking energy: -39.405
Base-Backbone interact. energy: -0.644
local terms energy: -36.079730
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: 3.527
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -82.702868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.702868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.702868 (E_RNA)
where:
Base-Base interactions energy: -25.899
where: short stacking energy: -25.147
Base-Backbone interact. energy: -0.399
local terms energy: -56.404149
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -0.453
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: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -205.682523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.682523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.682523 (E_RNA)
where:
Base-Base interactions energy: -133.364
where: short stacking energy: -64.124
Base-Backbone interact. energy: 0.416
local terms energy: -72.734472
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -203.833099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.833099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.833099 (E_RNA)
where:
Base-Base interactions energy: -129.703
where: short stacking energy: -57.148
Base-Backbone interact. energy: -0.179
local terms energy: -73.950767
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -193.656955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.656955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.656955 (E_RNA)
where:
Base-Base interactions energy: -120.581
where: short stacking energy: -58.498
Base-Backbone interact. energy: -0.105
local terms energy: -72.970992
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -189.175291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.175291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.175291 (E_RNA)
where:
Base-Base interactions energy: -119.828
where: short stacking energy: -66.390
Base-Backbone interact. energy: -0.609
local terms energy: -68.738449
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -134.369326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.369326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.369326 (E_RNA)
where:
Base-Base interactions energy: -88.129
where: short stacking energy: -57.135
Base-Backbone interact. energy: -0.226
local terms energy: -46.014331
where:
bonds (distance) C4'-P energy: -6.195
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -109.096651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.096651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.096651 (E_RNA)
where:
Base-Base interactions energy: -55.386
where: short stacking energy: -28.475
Base-Backbone interact. energy: -0.283
local terms energy: -53.427561
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -9.363
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: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -86.120716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.120716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.120716 (E_RNA)
where:
Base-Base interactions energy: -45.209
where: short stacking energy: -29.109
Base-Backbone interact. energy: -0.149
local terms energy: -40.761941
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -1.371
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -95.131988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.131988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.131988 (E_RNA)
where:
Base-Base interactions energy: -43.415
where: short stacking energy: -33.990
Base-Backbone interact. energy: -0.478
local terms energy: -51.239017
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: 3.036
tors. eta vs tors. theta energy: -9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -79.757564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.757564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.757564 (E_RNA)
where:
Base-Base interactions energy: -36.226
where: short stacking energy: -30.590
Base-Backbone interact. energy: -0.098
local terms energy: -43.433493
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -5.921
flat angles P-C4'-P energy: -9.100
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: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -88.836220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.836220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.836220 (E_RNA)
where:
Base-Base interactions energy: -39.698
where: short stacking energy: -26.426
Base-Backbone interact. energy: -0.114
local terms energy: -49.023381
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -7.395
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -200.213527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.213527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.213527 (E_RNA)
where:
Base-Base interactions energy: -126.066
where: short stacking energy: -76.908
Base-Backbone interact. energy: -0.000
local terms energy: -74.147062
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -21.456
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: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -198.921076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.921076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.921076 (E_RNA)
where:
Base-Base interactions energy: -128.932
where: short stacking energy: -62.610
Base-Backbone interact. energy: 0.442
local terms energy: -70.431812
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -186.943426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.943426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.943426 (E_RNA)
where:
Base-Base interactions energy: -126.346
where: short stacking energy: -59.634
Base-Backbone interact. energy: -0.084
local terms energy: -60.513698
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -191.166069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.166069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.166069 (E_RNA)
where:
Base-Base interactions energy: -127.681
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.010
local terms energy: -63.474355
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -149.636756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.636756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.636756 (E_RNA)
where:
Base-Base interactions energy: -84.768
where: short stacking energy: -44.603
Base-Backbone interact. energy: -1.420
local terms energy: -63.448523
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -11.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -134.875561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.875561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.875561 (E_RNA)
where:
Base-Base interactions energy: -80.015
where: short stacking energy: -43.291
Base-Backbone interact. energy: -0.820
local terms energy: -54.040140
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -9.857
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -107.753674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.753674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.753674 (E_RNA)
where:
Base-Base interactions energy: -50.559
where: short stacking energy: -27.710
Base-Backbone interact. energy: -0.159
local terms energy: -57.035514
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -88.293952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.293952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.293952 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -30.251
Base-Backbone interact. energy: -0.378
local terms energy: -55.329839
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: -7.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -84.507174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.507174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.507174 (E_RNA)
where:
Base-Base interactions energy: -43.215
where: short stacking energy: -24.428
Base-Backbone interact. energy: 0.654
local terms energy: -41.945712
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -77.056128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.056128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.056128 (E_RNA)
where:
Base-Base interactions energy: -28.282
where: short stacking energy: -26.793
Base-Backbone interact. energy: 0.138
local terms energy: -48.912321
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -3.432
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: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -214.580389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.580389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.580389 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -59.449
Base-Backbone interact. energy: -0.151
local terms energy: -71.153109
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -8.339
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: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -201.658898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.658898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.658898 (E_RNA)
where:
Base-Base interactions energy: -134.064
where: short stacking energy: -65.196
Base-Backbone interact. energy: -0.153
local terms energy: -67.442227
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -195.199610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.199610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.199610 (E_RNA)
where:
Base-Base interactions energy: -126.328
where: short stacking energy: -62.565
Base-Backbone interact. energy: -0.938
local terms energy: -67.933917
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -179.064895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.064895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.064895 (E_RNA)
where:
Base-Base interactions energy: -111.561
where: short stacking energy: -53.855
Base-Backbone interact. energy: -0.108
local terms energy: -67.395791
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -11.568
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -194.326470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.326470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.326470 (E_RNA)
where:
Base-Base interactions energy: -132.430
where: short stacking energy: -50.343
Base-Backbone interact. energy: 0.350
local terms energy: -62.247138
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -97.680280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.680280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.680280 (E_RNA)
where:
Base-Base interactions energy: -39.886
where: short stacking energy: -35.159
Base-Backbone interact. energy: -0.238
local terms energy: -57.555599
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -124.204872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.204872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.204872 (E_RNA)
where:
Base-Base interactions energy: -63.331
where: short stacking energy: -35.169
Base-Backbone interact. energy: -0.094
local terms energy: -60.780223
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -97.475551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.475551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.475551 (E_RNA)
where:
Base-Base interactions energy: -47.435
where: short stacking energy: -47.435
Base-Backbone interact. energy: -0.039
local terms energy: -50.001486
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -7.981
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: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -86.651491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.651491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.651491 (E_RNA)
where:
Base-Base interactions energy: -32.764
where: short stacking energy: -32.764
Base-Backbone interact. energy: -0.056
local terms energy: -53.830916
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -79.580866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.580866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.580866 (E_RNA)
where:
Base-Base interactions energy: -33.001
where: short stacking energy: -33.001
Base-Backbone interact. energy: -0.009
local terms energy: -46.570930
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -6.188
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: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -197.624755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.624755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.624755 (E_RNA)
where:
Base-Base interactions energy: -127.535
where: short stacking energy: -66.265
Base-Backbone interact. energy: -0.105
local terms energy: -69.984766
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -13.142
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: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -206.664088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.664088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.664088 (E_RNA)
where:
Base-Base interactions energy: -131.977
where: short stacking energy: -58.309
Base-Backbone interact. energy: -0.215
local terms energy: -74.472752
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -215.910278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.910278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.910278 (E_RNA)
where:
Base-Base interactions energy: -140.435
where: short stacking energy: -61.113
Base-Backbone interact. energy: -0.188
local terms energy: -75.287202
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -8.975
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: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -189.833841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.833841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.833841 (E_RNA)
where:
Base-Base interactions energy: -123.238
where: short stacking energy: -65.075
Base-Backbone interact. energy: -0.001
local terms energy: -66.595536
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -19.391
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: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -185.109171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.109171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.109171 (E_RNA)
where:
Base-Base interactions energy: -122.987
where: short stacking energy: -50.545
Base-Backbone interact. energy: -1.046
local terms energy: -61.076415
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -96.029712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.029712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.029712 (E_RNA)
where:
Base-Base interactions energy: -41.484
where: short stacking energy: -31.729
Base-Backbone interact. energy: -0.704
local terms energy: -53.841548
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -4.673
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: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -124.402776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.402776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.402776 (E_RNA)
where:
Base-Base interactions energy: -64.673
where: short stacking energy: -38.130
Base-Backbone interact. energy: -0.025
local terms energy: -59.705130
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -8.614
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: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -89.871782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.871782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.871782 (E_RNA)
where:
Base-Base interactions energy: -32.086
where: short stacking energy: -31.424
Base-Backbone interact. energy: 0.063
local terms energy: -57.849531
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -84.193130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.193130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.193130 (E_RNA)
where:
Base-Base interactions energy: -31.407
where: short stacking energy: -27.005
Base-Backbone interact. energy: -0.107
local terms energy: -52.678817
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -6.774
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: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -78.356143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.356143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.356143 (E_RNA)
where:
Base-Base interactions energy: -22.118
where: short stacking energy: -19.700
Base-Backbone interact. energy: 0.516
local terms energy: -56.754260
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -12.443
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: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -202.388678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.388678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.388678 (E_RNA)
where:
Base-Base interactions energy: -140.117
where: short stacking energy: -70.974
Base-Backbone interact. energy: -0.101
local terms energy: -62.171125
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -227.987476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.987476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.987476 (E_RNA)
where:
Base-Base interactions energy: -152.491
where: short stacking energy: -71.529
Base-Backbone interact. energy: -0.228
local terms energy: -75.268264
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -199.211470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.211470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.211470 (E_RNA)
where:
Base-Base interactions energy: -126.749
where: short stacking energy: -65.906
Base-Backbone interact. energy: 1.309
local terms energy: -73.771575
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -16.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -196.981609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.981609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.981609 (E_RNA)
where:
Base-Base interactions energy: -122.328
where: short stacking energy: -66.417
Base-Backbone interact. energy: -0.004
local terms energy: -74.649348
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -17.425
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: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -194.956245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.956245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.956245 (E_RNA)
where:
Base-Base interactions energy: -126.636
where: short stacking energy: -61.689
Base-Backbone interact. energy: -0.001
local terms energy: -68.319624
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -122.478935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.478935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.478935 (E_RNA)
where:
Base-Base interactions energy: -71.204
where: short stacking energy: -42.855
Base-Backbone interact. energy: -0.068
local terms energy: -51.206726
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -135.333260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.333260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.333260 (E_RNA)
where:
Base-Base interactions energy: -72.067
where: short stacking energy: -49.258
Base-Backbone interact. energy: -0.067
local terms energy: -63.199988
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -84.270525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.270525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.270525 (E_RNA)
where:
Base-Base interactions energy: -28.135
where: short stacking energy: -20.500
Base-Backbone interact. energy: -0.305
local terms energy: -55.830673
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: 0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -85.497839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.497839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.497839 (E_RNA)
where:
Base-Base interactions energy: -36.684
where: short stacking energy: -36.684
Base-Backbone interact. energy: -0.007
local terms energy: -48.806859
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -6.777
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: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -65.448110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.448110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.448110 (E_RNA)
where:
Base-Base interactions energy: -19.685
where: short stacking energy: -16.761
Base-Backbone interact. energy: -0.280
local terms energy: -45.483089
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -3.715
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: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -218.425001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.425001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.425001 (E_RNA)
where:
Base-Base interactions energy: -143.156
where: short stacking energy: -70.929
Base-Backbone interact. energy: -0.462
local terms energy: -74.806529
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -22.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -209.017956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.017956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.017956 (E_RNA)
where:
Base-Base interactions energy: -134.021
where: short stacking energy: -70.370
Base-Backbone interact. energy: -0.175
local terms energy: -74.821886
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -20.285
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: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -193.264106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.264106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.264106 (E_RNA)
where:
Base-Base interactions energy: -117.373
where: short stacking energy: -54.377
Base-Backbone interact. energy: -0.129
local terms energy: -75.762380
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -11.244
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: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -192.261158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.261158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.261158 (E_RNA)
where:
Base-Base interactions energy: -130.387
where: short stacking energy: -58.351
Base-Backbone interact. energy: 0.304
local terms energy: -62.178194
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -188.965592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.965592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.965592 (E_RNA)
where:
Base-Base interactions energy: -130.527
where: short stacking energy: -58.246
Base-Backbone interact. energy: -0.297
local terms energy: -58.142038
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -124.173813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.173813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.173813 (E_RNA)
where:
Base-Base interactions energy: -68.101
where: short stacking energy: -41.632
Base-Backbone interact. energy: -0.163
local terms energy: -55.910292
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -9.733
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -86.931630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.931630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.931630 (E_RNA)
where:
Base-Base interactions energy: -26.618
where: short stacking energy: -26.618
Base-Backbone interact. energy: -0.699
local terms energy: -59.614634
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -132.052804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.052804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.052804 (E_RNA)
where:
Base-Base interactions energy: -75.478
where: short stacking energy: -31.860
Base-Backbone interact. energy: -0.180
local terms energy: -56.395193
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -80.788629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.788629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.788629 (E_RNA)
where:
Base-Base interactions energy: -37.651
where: short stacking energy: -34.500
Base-Backbone interact. energy: 0.093
local terms energy: -43.230194
where:
bonds (distance) C4'-P energy: -8.169
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -9.095
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: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -91.064358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.064358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.064358 (E_RNA)
where:
Base-Base interactions energy: -47.524
where: short stacking energy: -39.011
Base-Backbone interact. energy: 2.422
local terms energy: -45.962489
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -223.988693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.988693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.988693 (E_RNA)
where:
Base-Base interactions energy: -145.568
where: short stacking energy: -67.066
Base-Backbone interact. energy: -0.167
local terms energy: -78.253672
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -196.426094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.426094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.426094 (E_RNA)
where:
Base-Base interactions energy: -123.079
where: short stacking energy: -54.627
Base-Backbone interact. energy: -0.014
local terms energy: -73.332246
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -185.577600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.577600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.577600 (E_RNA)
where:
Base-Base interactions energy: -124.018
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.028
local terms energy: -61.531596
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -185.547057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.547057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.547057 (E_RNA)
where:
Base-Base interactions energy: -116.263
where: short stacking energy: -56.393
Base-Backbone interact. energy: -0.022
local terms energy: -69.262232
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -175.744570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.744570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.744570 (E_RNA)
where:
Base-Base interactions energy: -116.739
where: short stacking energy: -49.697
Base-Backbone interact. energy: -0.238
local terms energy: -58.767452
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -134.444973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.444973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.444973 (E_RNA)
where:
Base-Base interactions energy: -83.762
where: short stacking energy: -39.309
Base-Backbone interact. energy: -0.102
local terms energy: -50.580483
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -5.176
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: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -94.817574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.817574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.817574 (E_RNA)
where:
Base-Base interactions energy: -50.466
where: short stacking energy: -36.325
Base-Backbone interact. energy: -0.032
local terms energy: -44.319500
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -147.896913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.896913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.896913 (E_RNA)
where:
Base-Base interactions energy: -83.009
where: short stacking energy: -50.431
Base-Backbone interact. energy: -0.373
local terms energy: -64.515355
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -11.310
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: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -76.868544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.868544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.868544 (E_RNA)
where:
Base-Base interactions energy: -35.032
where: short stacking energy: -34.198
Base-Backbone interact. energy: -0.167
local terms energy: -41.669886
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -76.345782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.345782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.345782 (E_RNA)
where:
Base-Base interactions energy: -29.750
where: short stacking energy: -24.866
Base-Backbone interact. energy: -0.040
local terms energy: -46.555948
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -199.561668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.561668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.561668 (E_RNA)
where:
Base-Base interactions energy: -134.007
where: short stacking energy: -63.995
Base-Backbone interact. energy: -0.066
local terms energy: -65.488326
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -229.989860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.989860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.989860 (E_RNA)
where:
Base-Base interactions energy: -152.266
where: short stacking energy: -78.595
Base-Backbone interact. energy: -0.241
local terms energy: -77.483018
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -206.630297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.630297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.630297 (E_RNA)
where:
Base-Base interactions energy: -142.336
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.619
local terms energy: -63.675748
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -198.098396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.098396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.098396 (E_RNA)
where:
Base-Base interactions energy: -123.606
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.007
local terms energy: -74.485302
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -131.409322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.409322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.409322 (E_RNA)
where:
Base-Base interactions energy: -80.984
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.556
local terms energy: -49.869899
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -6.617
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: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -181.104695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.104695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.104695 (E_RNA)
where:
Base-Base interactions energy: -119.058
where: short stacking energy: -60.134
Base-Backbone interact. energy: -0.027
local terms energy: -62.020222
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -99.363666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.363666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.363666 (E_RNA)
where:
Base-Base interactions energy: -47.245
where: short stacking energy: -24.885
Base-Backbone interact. energy: -0.571
local terms energy: -51.547798
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: 0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -94.946145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.946145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.946145 (E_RNA)
where:
Base-Base interactions energy: -52.115
where: short stacking energy: -36.941
Base-Backbone interact. energy: -0.027
local terms energy: -42.804186
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -5.622
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: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -77.563010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.563010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.563010 (E_RNA)
where:
Base-Base interactions energy: -34.584
where: short stacking energy: -33.790
Base-Backbone interact. energy: -0.404
local terms energy: -42.574953
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -74.956329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.956329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.956329 (E_RNA)
where:
Base-Base interactions energy: -32.473
where: short stacking energy: -21.103
Base-Backbone interact. energy: -0.019
local terms energy: -42.464438
where:
bonds (distance) C4'-P energy: -6.431
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: 1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -194.951737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.951737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.951737 (E_RNA)
where:
Base-Base interactions energy: -121.245
where: short stacking energy: -41.611
Base-Backbone interact. energy: -0.179
local terms energy: -73.527180
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -221.381800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.381800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.381800 (E_RNA)
where:
Base-Base interactions energy: -149.095
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.548
local terms energy: -71.738500
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -219.966512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.966512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.966512 (E_RNA)
where:
Base-Base interactions energy: -145.083
where: short stacking energy: -69.488
Base-Backbone interact. energy: -0.281
local terms energy: -74.602011
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -22.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -143.041113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.041113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.041113 (E_RNA)
where:
Base-Base interactions energy: -83.358
where: short stacking energy: -35.470
Base-Backbone interact. energy: -0.698
local terms energy: -58.985546
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -5.778
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: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -185.891497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.891497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.891497 (E_RNA)
where:
Base-Base interactions energy: -121.504
where: short stacking energy: -56.179
Base-Backbone interact. energy: 1.633
local terms energy: -66.020323
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -182.236656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.236656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.236656 (E_RNA)
where:
Base-Base interactions energy: -110.728
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.011
local terms energy: -71.497307
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -94.958621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.958621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.958621 (E_RNA)
where:
Base-Base interactions energy: -47.577
where: short stacking energy: -26.312
Base-Backbone interact. energy: 0.466
local terms energy: -47.847766
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -89.617075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.617075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.617075 (E_RNA)
where:
Base-Base interactions energy: -33.759
where: short stacking energy: -32.874
Base-Backbone interact. energy: -0.008
local terms energy: -55.850450
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -4.825
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: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -78.245078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.245078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.245078 (E_RNA)
where:
Base-Base interactions energy: -35.548
where: short stacking energy: -26.133
Base-Backbone interact. energy: -0.022
local terms energy: -42.674811
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -74.883507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.883507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.883507 (E_RNA)
where:
Base-Base interactions energy: -23.156
where: short stacking energy: -22.738
Base-Backbone interact. energy: -1.042
local terms energy: -50.686088
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -1.627
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: 94
Temperature: 0.900000
Total energy: -217.708250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.708250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.708250 (E_RNA)
where:
Base-Base interactions energy: -143.465
where: short stacking energy: -56.384
Base-Backbone interact. energy: -0.414
local terms energy: -73.828951
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -193.123927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.123927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.123927 (E_RNA)
where:
Base-Base interactions energy: -123.659
where: short stacking energy: -50.229
Base-Backbone interact. energy: -0.109
local terms energy: -69.356347
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -219.530586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.530586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.530586 (E_RNA)
where:
Base-Base interactions energy: -143.674
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.041
local terms energy: -75.815976
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -138.313913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.313913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.313913 (E_RNA)
where:
Base-Base interactions energy: -83.225
where: short stacking energy: -48.689
Base-Backbone interact. energy: -0.626
local terms energy: -54.462588
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -192.342676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.342676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.342676 (E_RNA)
where:
Base-Base interactions energy: -126.795
where: short stacking energy: -62.508
Base-Backbone interact. energy: -0.028
local terms energy: -65.519979
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -186.611979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.611979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.611979 (E_RNA)
where:
Base-Base interactions energy: -124.887
where: short stacking energy: -57.327
Base-Backbone interact. energy: -0.124
local terms energy: -61.600269
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -111.756234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.756234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.756234 (E_RNA)
where:
Base-Base interactions energy: -56.694
where: short stacking energy: -32.119
Base-Backbone interact. energy: -0.963
local terms energy: -54.098899
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -10.066
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: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -92.200341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.200341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.200341 (E_RNA)
where:
Base-Base interactions energy: -41.844
where: short stacking energy: -37.140
Base-Backbone interact. energy: -0.129
local terms energy: -50.227011
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: 1.163
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: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -125.021692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.021692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.021692 (E_RNA)
where:
Base-Base interactions energy: -81.636
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.049
local terms energy: -43.336819
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: 0.618
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -84.485442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.485442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.485442 (E_RNA)
where:
Base-Base interactions energy: -39.980
where: short stacking energy: -16.944
Base-Backbone interact. energy: -0.143
local terms energy: -44.362983
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -205.054169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.054169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.054169 (E_RNA)
where:
Base-Base interactions energy: -133.366
where: short stacking energy: -64.126
Base-Backbone interact. energy: -0.557
local terms energy: -71.131071
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -221.761861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.761861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.761861 (E_RNA)
where:
Base-Base interactions energy: -140.558
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.460
local terms energy: -80.744188
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -21.070
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: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -190.779464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.779464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.779464 (E_RNA)
where:
Base-Base interactions energy: -120.726
where: short stacking energy: -61.732
Base-Backbone interact. energy: 0.007
local terms energy: -70.060266
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -191.963562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.963562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.963562 (E_RNA)
where:
Base-Base interactions energy: -130.178
where: short stacking energy: -57.886
Base-Backbone interact. energy: -0.298
local terms energy: -61.488277
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: 1.986
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -137.659756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.659756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.659756 (E_RNA)
where:
Base-Base interactions energy: -73.793
where: short stacking energy: -43.007
Base-Backbone interact. energy: -0.047
local terms energy: -63.820372
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -179.429785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.429785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.429785 (E_RNA)
where:
Base-Base interactions energy: -121.808
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.012
local terms energy: -57.609236
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -96.156962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.156962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.156962 (E_RNA)
where:
Base-Base interactions energy: -48.863
where: short stacking energy: -26.664
Base-Backbone interact. energy: -0.028
local terms energy: -47.265858
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -139.991415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.991415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.991415 (E_RNA)
where:
Base-Base interactions energy: -80.861
where: short stacking energy: -36.060
Base-Backbone interact. energy: -0.105
local terms energy: -59.025484
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -124.673708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.673708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.673708 (E_RNA)
where:
Base-Base interactions energy: -70.352
where: short stacking energy: -37.244
Base-Backbone interact. energy: -0.830
local terms energy: -53.491214
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -87.868925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.868925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.868925 (E_RNA)
where:
Base-Base interactions energy: -32.184
where: short stacking energy: -26.774
Base-Backbone interact. energy: -0.620
local terms energy: -55.065097
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: 0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -223.660483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.660483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.660483 (E_RNA)
where:
Base-Base interactions energy: -152.220
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.010
local terms energy: -71.429983
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -213.175470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.175470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.175470 (E_RNA)
where:
Base-Base interactions energy: -142.661
where: short stacking energy: -60.702
Base-Backbone interact. energy: -1.753
local terms energy: -68.761686
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -199.795087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.795087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.795087 (E_RNA)
where:
Base-Base interactions energy: -133.236
where: short stacking energy: -54.949
Base-Backbone interact. energy: -0.317
local terms energy: -66.241915
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -197.806584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.806584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.806584 (E_RNA)
where:
Base-Base interactions energy: -128.552
where: short stacking energy: -68.034
Base-Backbone interact. energy: -0.017
local terms energy: -69.237926
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -188.345382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.345382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.345382 (E_RNA)
where:
Base-Base interactions energy: -119.320
where: short stacking energy: -57.069
Base-Backbone interact. energy: -0.268
local terms energy: -68.757319
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -135.154195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.154195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.154195 (E_RNA)
where:
Base-Base interactions energy: -78.071
where: short stacking energy: -50.824
Base-Backbone interact. energy: -0.064
local terms energy: -57.018828
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -128.602144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.602144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.602144 (E_RNA)
where:
Base-Base interactions energy: -77.420
where: short stacking energy: -49.833
Base-Backbone interact. energy: -0.002
local terms energy: -51.179229
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -106.120986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.120986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.120986 (E_RNA)
where:
Base-Base interactions energy: -54.696
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.028
local terms energy: -51.397487
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -93.740972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.740972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.740972 (E_RNA)
where:
Base-Base interactions energy: -35.224
where: short stacking energy: -33.821
Base-Backbone interact. energy: -0.348
local terms energy: -58.168553
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -9.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -85.329274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.329274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.329274 (E_RNA)
where:
Base-Base interactions energy: -45.689
where: short stacking energy: -34.632
Base-Backbone interact. energy: -1.315
local terms energy: -38.324550
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -6.464
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: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -224.447016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.447016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.447016 (E_RNA)
where:
Base-Base interactions energy: -150.619
where: short stacking energy: -68.037
Base-Backbone interact. energy: -0.025
local terms energy: -73.802750
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -210.315947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.315947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.315947 (E_RNA)
where:
Base-Base interactions energy: -141.384
where: short stacking energy: -68.826
Base-Backbone interact. energy: -0.025
local terms energy: -68.907335
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -193.153955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.153955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.153955 (E_RNA)
where:
Base-Base interactions energy: -126.499
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.026
local terms energy: -66.629016
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -197.681338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.681338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.681338 (E_RNA)
where:
Base-Base interactions energy: -123.987
where: short stacking energy: -55.582
Base-Backbone interact. energy: -0.003
local terms energy: -73.691796
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -166.103549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.103549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.103549 (E_RNA)
where:
Base-Base interactions energy: -103.410
where: short stacking energy: -47.020
Base-Backbone interact. energy: 1.120
local terms energy: -63.812763
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -140.201619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.201619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.201619 (E_RNA)
where:
Base-Base interactions energy: -84.460
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.240
local terms energy: -55.501927
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -9.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -124.555487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.555487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.555487 (E_RNA)
where:
Base-Base interactions energy: -67.388
where: short stacking energy: -36.688
Base-Backbone interact. energy: 2.090
local terms energy: -59.257892
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -4.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -96.434120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.434120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.434120 (E_RNA)
where:
Base-Base interactions energy: -40.575
where: short stacking energy: -40.575
Base-Backbone interact. energy: -0.668
local terms energy: -55.191950
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -6.807
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: 5
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -90.343707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.343707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.343707 (E_RNA)
where:
Base-Base interactions energy: -47.306
where: short stacking energy: -26.228
Base-Backbone interact. energy: -0.259
local terms energy: -42.777877
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: 0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -79.207165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.207165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.207165 (E_RNA)
where:
Base-Base interactions energy: -33.226
where: short stacking energy: -33.226
Base-Backbone interact. energy: 0.264
local terms energy: -46.244871
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -212.141861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.141861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.141861 (E_RNA)
where:
Base-Base interactions energy: -139.882
where: short stacking energy: -79.212
Base-Backbone interact. energy: -0.006
local terms energy: -72.253815
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -219.329150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.329150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.329150 (E_RNA)
where:
Base-Base interactions energy: -146.777
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.387
local terms energy: -72.164562
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -20.806
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: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -196.951331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.951331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.951331 (E_RNA)
where:
Base-Base interactions energy: -135.068
where: short stacking energy: -65.330
Base-Backbone interact. energy: -0.032
local terms energy: -61.851237
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -205.741827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.741827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.741827 (E_RNA)
where:
Base-Base interactions energy: -135.470
where: short stacking energy: -62.667
Base-Backbone interact. energy: -0.083
local terms energy: -70.188079
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -161.742168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.742168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.742168 (E_RNA)
where:
Base-Base interactions energy: -102.307
where: short stacking energy: -53.280
Base-Backbone interact. energy: -0.928
local terms energy: -58.506659
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -174.251177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.251177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.251177 (E_RNA)
where:
Base-Base interactions energy: -114.126
where: short stacking energy: -46.616
Base-Backbone interact. energy: -0.101
local terms energy: -60.024363
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -12.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -126.531899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.531899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.531899 (E_RNA)
where:
Base-Base interactions energy: -75.891
where: short stacking energy: -39.010
Base-Backbone interact. energy: -0.179
local terms energy: -50.461850
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -86.041796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.041796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.041796 (E_RNA)
where:
Base-Base interactions energy: -28.022
where: short stacking energy: -26.052
Base-Backbone interact. energy: -0.197
local terms energy: -57.822857
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -88.481483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.481483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.481483 (E_RNA)
where:
Base-Base interactions energy: -38.997
where: short stacking energy: -39.097
Base-Backbone interact. energy: -0.085
local terms energy: -49.399715
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -73.433694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.433694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.433694 (E_RNA)
where:
Base-Base interactions energy: -26.462
where: short stacking energy: -25.795
Base-Backbone interact. energy: -0.156
local terms energy: -46.815407
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -215.662380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.662380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.662380 (E_RNA)
where:
Base-Base interactions energy: -139.209
where: short stacking energy: -71.744
Base-Backbone interact. energy: -0.042
local terms energy: -76.411944
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -18.069
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: 99
Temperature: 0.950000
Total energy: -217.361070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.361070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.361070 (E_RNA)
where:
Base-Base interactions energy: -139.299
where: short stacking energy: -65.492
Base-Backbone interact. energy: -0.089
local terms energy: -77.972786
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -202.651214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.651214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.651214 (E_RNA)
where:
Base-Base interactions energy: -135.953
where: short stacking energy: -66.062
Base-Backbone interact. energy: -0.133
local terms energy: -66.564312
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -166.290985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.290985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.290985 (E_RNA)
where:
Base-Base interactions energy: -103.239
where: short stacking energy: -48.315
Base-Backbone interact. energy: 0.678
local terms energy: -63.730264
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -11.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -174.645957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.645957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.645957 (E_RNA)
where:
Base-Base interactions energy: -111.446
where: short stacking energy: -56.300
Base-Backbone interact. energy: -0.032
local terms energy: -63.167776
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -177.151518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.151518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.151518 (E_RNA)
where:
Base-Base interactions energy: -107.829
where: short stacking energy: -42.065
Base-Backbone interact. energy: -0.159
local terms energy: -69.163574
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -12.366
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: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -136.738607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.738607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.738607 (E_RNA)
where:
Base-Base interactions energy: -73.939
where: short stacking energy: -40.317
Base-Backbone interact. energy: -0.168
local terms energy: -62.631569
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -8.971
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: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -96.166317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.166317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.166317 (E_RNA)
where:
Base-Base interactions energy: -43.444
where: short stacking energy: -43.359
Base-Backbone interact. energy: -0.153
local terms energy: -52.568839
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -8.772
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -86.470494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.470494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.470494 (E_RNA)
where:
Base-Base interactions energy: -30.409
where: short stacking energy: -13.937
Base-Backbone interact. energy: -0.420
local terms energy: -55.641876
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -81.513145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.513145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.513145 (E_RNA)
where:
Base-Base interactions energy: -32.223
where: short stacking energy: -28.339
Base-Backbone interact. energy: -0.098
local terms energy: -49.192158
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -224.233560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.233560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.233560 (E_RNA)
where:
Base-Base interactions energy: -147.685
where: short stacking energy: -63.917
Base-Backbone interact. energy: -0.539
local terms energy: -76.009708
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -204.426660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.426660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.426660 (E_RNA)
where:
Base-Base interactions energy: -124.944
where: short stacking energy: -60.507
Base-Backbone interact. energy: -0.025
local terms energy: -79.457079
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -19.795
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: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -193.553874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.553874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.553874 (E_RNA)
where:
Base-Base interactions energy: -130.935
where: short stacking energy: -51.402
Base-Backbone interact. energy: -0.154
local terms energy: -62.464871
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -148.575469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.575469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.575469 (E_RNA)
where:
Base-Base interactions energy: -84.398
where: short stacking energy: -49.173
Base-Backbone interact. energy: -0.115
local terms energy: -64.062894
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -185.956156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.956156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.956156 (E_RNA)
where:
Base-Base interactions energy: -116.381
where: short stacking energy: -55.391
Base-Backbone interact. energy: 0.367
local terms energy: -69.942051
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -179.987135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.987135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.987135 (E_RNA)
where:
Base-Base interactions energy: -119.581
where: short stacking energy: -55.254
Base-Backbone interact. energy: -0.055
local terms energy: -60.351060
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -14.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -96.170532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.170532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.170532 (E_RNA)
where:
Base-Base interactions energy: -41.462
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.330
local terms energy: -54.378895
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -112.830924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.830924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.830924 (E_RNA)
where:
Base-Base interactions energy: -63.397
where: short stacking energy: -31.744
Base-Backbone interact. energy: -0.144
local terms energy: -49.290638
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -10.335
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: 9, replica: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -80.808505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.808505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.808505 (E_RNA)
where:
Base-Base interactions energy: -35.475
where: short stacking energy: -23.204
Base-Backbone interact. energy: 0.325
local terms energy: -45.658379
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: 0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -82.882064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.882064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.882064 (E_RNA)
where:
Base-Base interactions energy: -46.153
where: short stacking energy: -35.665
Base-Backbone interact. energy: -0.180
local terms energy: -36.549143
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -6.475
flat angles C4'-P-C4' energy: -7.210
flat angles P-C4'-P energy: -2.936
tors. eta vs tors. theta energy: -5.155
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: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -223.167729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.167729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.167729 (E_RNA)
where:
Base-Base interactions energy: -145.623
where: short stacking energy: -64.955
Base-Backbone interact. energy: -0.109
local terms energy: -77.435678
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -209.152660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.152660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.152660 (E_RNA)
where:
Base-Base interactions energy: -132.458
where: short stacking energy: -70.603
Base-Backbone interact. energy: -0.170
local terms energy: -76.524465
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -194.025246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.025246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.025246 (E_RNA)
where:
Base-Base interactions energy: -130.185
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.001
local terms energy: -63.839690
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -182.479571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.479571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.479571 (E_RNA)
where:
Base-Base interactions energy: -113.582
where: short stacking energy: -54.443
Base-Backbone interact. energy: -0.048
local terms energy: -68.849833
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -12.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -143.968430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.968430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.968430 (E_RNA)
where:
Base-Base interactions energy: -82.698
where: short stacking energy: -53.452
Base-Backbone interact. energy: -0.868
local terms energy: -60.401809
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -11.501
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: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -178.096320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.096320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.096320 (E_RNA)
where:
Base-Base interactions energy: -117.185
where: short stacking energy: -51.122
Base-Backbone interact. energy: -0.002
local terms energy: -60.909354
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -97.075863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.075863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.075863 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -33.987
Base-Backbone interact. energy: -0.128
local terms energy: -57.084869
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -124.555855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.555855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.555855 (E_RNA)
where:
Base-Base interactions energy: -68.798
where: short stacking energy: -27.659
Base-Backbone interact. energy: -0.111
local terms energy: -55.646469
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -111.802235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.802235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.802235 (E_RNA)
where:
Base-Base interactions energy: -60.488
where: short stacking energy: -25.446
Base-Backbone interact. energy: 0.037
local terms energy: -51.351688
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -79.120220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.120220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.120220 (E_RNA)
where:
Base-Base interactions energy: -27.567
where: short stacking energy: -24.837
Base-Backbone interact. energy: -0.167
local terms energy: -51.386170
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -227.266931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.266931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.266931 (E_RNA)
where:
Base-Base interactions energy: -152.825
where: short stacking energy: -70.635
Base-Backbone interact. energy: -0.042
local terms energy: -74.399667
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -12.395
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: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -208.573894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.573894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.573894 (E_RNA)
where:
Base-Base interactions energy: -137.076
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.287
local terms energy: -71.211147
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -187.904148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.904148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.904148 (E_RNA)
where:
Base-Base interactions energy: -115.045
where: short stacking energy: -54.675
Base-Backbone interact. energy: -0.093
local terms energy: -72.765964
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -189.864011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.864011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.864011 (E_RNA)
where:
Base-Base interactions energy: -133.653
where: short stacking energy: -60.703
Base-Backbone interact. energy: -0.710
local terms energy: -55.501589
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -7.412
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: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -186.851191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.851191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.851191 (E_RNA)
where:
Base-Base interactions energy: -119.185
where: short stacking energy: -55.300
Base-Backbone interact. energy: -0.002
local terms energy: -67.664643
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -143.796302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.796302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.796302 (E_RNA)
where:
Base-Base interactions energy: -81.508
where: short stacking energy: -41.827
Base-Backbone interact. energy: -1.277
local terms energy: -61.011549
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -89.949836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.949836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.949836 (E_RNA)
where:
Base-Base interactions energy: -38.113
where: short stacking energy: -36.301
Base-Backbone interact. energy: -0.174
local terms energy: -51.663594
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -92.866742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.866742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.866742 (E_RNA)
where:
Base-Base interactions energy: -34.147
where: short stacking energy: -32.601
Base-Backbone interact. energy: -0.109
local terms energy: -58.610210
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -101.924744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.924744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.924744 (E_RNA)
where:
Base-Base interactions energy: -60.952
where: short stacking energy: -29.279
Base-Backbone interact. energy: -0.302
local terms energy: -40.671353
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -8.129
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: 2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -79.821782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.821782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.821782 (E_RNA)
where:
Base-Base interactions energy: -34.254
where: short stacking energy: -20.295
Base-Backbone interact. energy: -0.096
local terms energy: -45.471605
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -6.847
flat angles P-C4'-P energy: -11.000
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: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -226.581966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.581966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.581966 (E_RNA)
where:
Base-Base interactions energy: -154.719
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.089
local terms energy: -71.773586
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -18.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -188.223620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.223620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.223620 (E_RNA)
where:
Base-Base interactions energy: -119.216
where: short stacking energy: -49.220
Base-Backbone interact. energy: -0.649
local terms energy: -68.359061
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -195.909748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.909748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.909748 (E_RNA)
where:
Base-Base interactions energy: -129.749
where: short stacking energy: -67.430
Base-Backbone interact. energy: -0.052
local terms energy: -66.109268
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -182.890512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.890512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.890512 (E_RNA)
where:
Base-Base interactions energy: -123.163
where: short stacking energy: -56.678
Base-Backbone interact. energy: 1.519
local terms energy: -61.247280
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -177.423436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.423436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.423436 (E_RNA)
where:
Base-Base interactions energy: -110.230
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.077
local terms energy: -67.116265
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -146.196955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.196955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.196955 (E_RNA)
where:
Base-Base interactions energy: -89.431
where: short stacking energy: -47.383
Base-Backbone interact. energy: -0.868
local terms energy: -55.898752
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -7.940
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: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -125.392542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.392542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.392542 (E_RNA)
where:
Base-Base interactions energy: -73.410
where: short stacking energy: -40.021
Base-Backbone interact. energy: -0.106
local terms energy: -51.876373
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -6.739
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: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -87.568058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.568058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.568058 (E_RNA)
where:
Base-Base interactions energy: -38.891
where: short stacking energy: -34.372
Base-Backbone interact. energy: -0.136
local terms energy: -48.541050
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -4.413
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: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -81.426103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.426103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.426103 (E_RNA)
where:
Base-Base interactions energy: -36.985
where: short stacking energy: -36.985
Base-Backbone interact. energy: -0.025
local terms energy: -44.415945
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -4.042
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: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -105.489523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.489523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.489523 (E_RNA)
where:
Base-Base interactions energy: -67.463
where: short stacking energy: -28.974
Base-Backbone interact. energy: 1.395
local terms energy: -39.421556
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -6.177
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -222.441684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.441684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.441684 (E_RNA)
where:
Base-Base interactions energy: -144.797
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.004
local terms energy: -77.641028
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -205.191516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.191516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.191516 (E_RNA)
where:
Base-Base interactions energy: -131.144
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.006
local terms energy: -74.041296
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -187.047386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.047386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.047386 (E_RNA)
where:
Base-Base interactions energy: -119.606
where: short stacking energy: -67.060
Base-Backbone interact. energy: -0.076
local terms energy: -67.365979
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -12.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -186.506445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.506445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.506445 (E_RNA)
where:
Base-Base interactions energy: -121.679
where: short stacking energy: -49.809
Base-Backbone interact. energy: -0.804
local terms energy: -64.023228
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -179.816844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.816844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.816844 (E_RNA)
where:
Base-Base interactions energy: -118.584
where: short stacking energy: -50.942
Base-Backbone interact. energy: 0.125
local terms energy: -61.357136
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -138.325931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.325931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.325931 (E_RNA)
where:
Base-Base interactions energy: -81.368
where: short stacking energy: -47.543
Base-Backbone interact. energy: -0.893
local terms energy: -56.065258
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -9.646
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: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -121.484488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.484488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.484488 (E_RNA)
where:
Base-Base interactions energy: -64.633
where: short stacking energy: -32.307
Base-Backbone interact. energy: -0.560
local terms energy: -56.291429
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -11.626
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: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -89.653519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.653519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.653519 (E_RNA)
where:
Base-Base interactions energy: -35.924
where: short stacking energy: -35.989
Base-Backbone interact. energy: -0.019
local terms energy: -53.710678
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -75.474924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.474924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.474924 (E_RNA)
where:
Base-Base interactions energy: -28.535
where: short stacking energy: -28.535
Base-Backbone interact. energy: -0.049
local terms energy: -46.891279
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -2.291
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: 104
Temperature: 1.350000
Total energy: -89.743569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.743569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.743569 (E_RNA)
where:
Base-Base interactions energy: -41.823
where: short stacking energy: -41.823
Base-Backbone interact. energy: -0.132
local terms energy: -47.789189
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -227.212642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.212642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.212642 (E_RNA)
where:
Base-Base interactions energy: -150.390
where: short stacking energy: -75.404
Base-Backbone interact. energy: 1.098
local terms energy: -77.921000
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -193.752241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.752241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.752241 (E_RNA)
where:
Base-Base interactions energy: -127.279
where: short stacking energy: -68.836
Base-Backbone interact. energy: -0.186
local terms energy: -66.287447
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -190.602028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.602028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.602028 (E_RNA)
where:
Base-Base interactions energy: -121.206
where: short stacking energy: -51.686
Base-Backbone interact. energy: -0.160
local terms energy: -69.236592
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -187.875216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.875216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.875216 (E_RNA)
where:
Base-Base interactions energy: -128.236
where: short stacking energy: -53.431
Base-Backbone interact. energy: -0.093
local terms energy: -59.546792
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -185.359251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.359251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.359251 (E_RNA)
where:
Base-Base interactions energy: -119.515
where: short stacking energy: -53.372
Base-Backbone interact. energy: -0.053
local terms energy: -65.790724
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -7.183
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: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -146.070594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.070594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.070594 (E_RNA)
where:
Base-Base interactions energy: -87.499
where: short stacking energy: -44.060
Base-Backbone interact. energy: -0.239
local terms energy: -58.332921
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -132.821044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.821044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.821044 (E_RNA)
where:
Base-Base interactions energy: -77.929
where: short stacking energy: -37.608
Base-Backbone interact. energy: 0.578
local terms energy: -55.470059
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -11.795
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: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -78.955766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.955766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.955766 (E_RNA)
where:
Base-Base interactions energy: -29.823
where: short stacking energy: -29.823
Base-Backbone interact. energy: 0.464
local terms energy: -49.596679
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -88.604498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.604498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.604498 (E_RNA)
where:
Base-Base interactions energy: -35.284
where: short stacking energy: -35.284
Base-Backbone interact. energy: -0.222
local terms energy: -53.098636
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -6.097
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: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -76.641133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.641133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.641133 (E_RNA)
where:
Base-Base interactions energy: -26.191
where: short stacking energy: -26.191
Base-Backbone interact. energy: -0.059
local terms energy: -50.391430
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -230.540302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.540302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.540302 (E_RNA)
where:
Base-Base interactions energy: -156.241
where: short stacking energy: -69.100
Base-Backbone interact. energy: -0.133
local terms energy: -74.166571
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -201.272654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.272654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.272654 (E_RNA)
where:
Base-Base interactions energy: -136.021
where: short stacking energy: -63.376
Base-Backbone interact. energy: 0.187
local terms energy: -65.438990
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -194.232717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.232717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.232717 (E_RNA)
where:
Base-Base interactions energy: -121.139
where: short stacking energy: -50.090
Base-Backbone interact. energy: 0.610
local terms energy: -73.703559
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -192.808146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.808146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.808146 (E_RNA)
where:
Base-Base interactions energy: -125.532
where: short stacking energy: -52.386
Base-Backbone interact. energy: -0.062
local terms energy: -67.213387
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -11.854
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: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -185.657040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.657040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.657040 (E_RNA)
where:
Base-Base interactions energy: -112.939
where: short stacking energy: -57.546
Base-Backbone interact. energy: -0.086
local terms energy: -72.631665
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -155.371607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.371607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.371607 (E_RNA)
where:
Base-Base interactions energy: -95.172
where: short stacking energy: -48.780
Base-Backbone interact. energy: 0.000
local terms energy: -60.200060
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -115.092621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.092621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.092621 (E_RNA)
where:
Base-Base interactions energy: -66.481
where: short stacking energy: -39.768
Base-Backbone interact. energy: -0.524
local terms energy: -48.087591
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -2.537
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -85.595944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.595944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.595944 (E_RNA)
where:
Base-Base interactions energy: -30.441
where: short stacking energy: -30.441
Base-Backbone interact. energy: -0.129
local terms energy: -55.026257
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -92.199987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.199987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.199987 (E_RNA)
where:
Base-Base interactions energy: -42.868
where: short stacking energy: -42.035
Base-Backbone interact. energy: -0.190
local terms energy: -49.141958
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: 0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -78.593382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.593382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.593382 (E_RNA)
where:
Base-Base interactions energy: -24.458
where: short stacking energy: -22.958
Base-Backbone interact. energy: -0.085
local terms energy: -54.050423
where:
bonds (distance) C4'-P energy: -7.713
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -232.468250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.468250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.468250 (E_RNA)
where:
Base-Base interactions energy: -152.504
where: short stacking energy: -75.397
Base-Backbone interact. energy: -0.002
local terms energy: -79.962776
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -206.360659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.360659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.360659 (E_RNA)
where:
Base-Base interactions energy: -137.615
where: short stacking energy: -54.751
Base-Backbone interact. energy: -0.081
local terms energy: -68.665087
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -12.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -206.243539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.243539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.243539 (E_RNA)
where:
Base-Base interactions energy: -135.806
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.014
local terms energy: -70.423487
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -183.371416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.371416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.371416 (E_RNA)
where:
Base-Base interactions energy: -117.023
where: short stacking energy: -56.387
Base-Backbone interact. energy: -0.099
local terms energy: -66.249786
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -188.698182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.698182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.698182 (E_RNA)
where:
Base-Base interactions energy: -123.936
where: short stacking energy: -65.465
Base-Backbone interact. energy: -0.005
local terms energy: -64.757440
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -8.183
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -18.266
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: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -141.297981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.297981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.297981 (E_RNA)
where:
Base-Base interactions energy: -84.561
where: short stacking energy: -48.364
Base-Backbone interact. energy: 0.268
local terms energy: -57.005169
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -6.638
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: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -127.686232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.686232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.686232 (E_RNA)
where:
Base-Base interactions energy: -70.856
where: short stacking energy: -43.416
Base-Backbone interact. energy: 0.205
local terms energy: -57.035118
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -9.643
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -78.412862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.412862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.412862 (E_RNA)
where:
Base-Base interactions energy: -33.276
where: short stacking energy: -27.035
Base-Backbone interact. energy: -0.181
local terms energy: -44.956620
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -84.012438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.012438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.012438 (E_RNA)
where:
Base-Base interactions energy: -30.416
where: short stacking energy: -21.888
Base-Backbone interact. energy: -0.055
local terms energy: -53.541272
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -1.571
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: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -76.884959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.884959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.884959 (E_RNA)
where:
Base-Base interactions energy: -29.781
where: short stacking energy: -28.207
Base-Backbone interact. energy: -0.636
local terms energy: -46.468138
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -237.615073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.615073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.615073 (E_RNA)
where:
Base-Base interactions energy: -154.702
where: short stacking energy: -78.558
Base-Backbone interact. energy: -0.012
local terms energy: -82.901437
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -22.167
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: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -203.534149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.534149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.534149 (E_RNA)
where:
Base-Base interactions energy: -138.084
where: short stacking energy: -59.685
Base-Backbone interact. energy: -1.161
local terms energy: -64.289357
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -187.113478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.113478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.113478 (E_RNA)
where:
Base-Base interactions energy: -122.300
where: short stacking energy: -58.385
Base-Backbone interact. energy: -0.003
local terms energy: -64.810055
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -3.565
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -200.752824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.752824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.752824 (E_RNA)
where:
Base-Base interactions energy: -138.995
where: short stacking energy: -60.623
Base-Backbone interact. energy: -0.116
local terms energy: -61.642062
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -182.523237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.523237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.523237 (E_RNA)
where:
Base-Base interactions energy: -115.686
where: short stacking energy: -55.583
Base-Backbone interact. energy: -0.184
local terms energy: -66.652989
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -143.041030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.041030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.041030 (E_RNA)
where:
Base-Base interactions energy: -94.867
where: short stacking energy: -48.552
Base-Backbone interact. energy: -0.393
local terms energy: -47.781167
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -127.632302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.632302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.632302 (E_RNA)
where:
Base-Base interactions energy: -73.486
where: short stacking energy: -40.106
Base-Backbone interact. energy: -0.197
local terms energy: -53.950026
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -6.012
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: 108
Temperature: 1.250000
Total energy: -92.888744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.888744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.888744 (E_RNA)
where:
Base-Base interactions energy: -30.547
where: short stacking energy: -30.547
Base-Backbone interact. energy: 1.751
local terms energy: -64.092810
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -8.558
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: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -82.798506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.798506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.798506 (E_RNA)
where:
Base-Base interactions energy: -30.250
where: short stacking energy: -26.056
Base-Backbone interact. energy: -0.269
local terms energy: -52.279320
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -6.489
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: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -95.828294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.828294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.828294 (E_RNA)
where:
Base-Base interactions energy: -49.939
where: short stacking energy: -28.975
Base-Backbone interact. energy: 0.150
local terms energy: -46.039561
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -233.099725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.099725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.099725 (E_RNA)
where:
Base-Base interactions energy: -157.731
where: short stacking energy: -74.805
Base-Backbone interact. energy: -0.005
local terms energy: -75.363748
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -18.292
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: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -197.869789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.869789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.869789 (E_RNA)
where:
Base-Base interactions energy: -122.315
where: short stacking energy: -58.057
Base-Backbone interact. energy: -0.082
local terms energy: -75.473250
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -18.921
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: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -198.631159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.631159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.631159 (E_RNA)
where:
Base-Base interactions energy: -132.310
where: short stacking energy: -58.059
Base-Backbone interact. energy: -0.152
local terms energy: -66.169348
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -13.233
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: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -197.947945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.947945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.947945 (E_RNA)
where:
Base-Base interactions energy: -137.392
where: short stacking energy: -54.190
Base-Backbone interact. energy: -0.066
local terms energy: -60.490009
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -11.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -180.385796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.385796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.385796 (E_RNA)
where:
Base-Base interactions energy: -118.950
where: short stacking energy: -47.108
Base-Backbone interact. energy: 0.372
local terms energy: -61.808088
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -129.066442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.066442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.066442 (E_RNA)
where:
Base-Base interactions energy: -71.914
where: short stacking energy: -39.280
Base-Backbone interact. energy: -0.202
local terms energy: -56.949626
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -6.200
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: 109
Temperature: 1.200000
Total energy: -120.542327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.542327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.542327 (E_RNA)
where:
Base-Base interactions energy: -69.912
where: short stacking energy: -37.904
Base-Backbone interact. energy: -0.262
local terms energy: -50.367840
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -4.802
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: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -90.945299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.945299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.945299 (E_RNA)
where:
Base-Base interactions energy: -39.243
where: short stacking energy: -39.124
Base-Backbone interact. energy: -0.009
local terms energy: -51.692723
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -7.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -103.704758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.704758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.704758 (E_RNA)
where:
Base-Base interactions energy: -53.914
where: short stacking energy: -24.405
Base-Backbone interact. energy: -0.651
local terms energy: -49.139860
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: 2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -74.814751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.814751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.814751 (E_RNA)
where:
Base-Base interactions energy: -25.794
where: short stacking energy: -23.347
Base-Backbone interact. energy: -0.456
local terms energy: -48.564308
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: 2.729
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: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -233.092415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.092415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.092415 (E_RNA)
where:
Base-Base interactions energy: -154.841
where: short stacking energy: -74.531
Base-Backbone interact. energy: -0.620
local terms energy: -77.631831
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -205.535842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.535842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.535842 (E_RNA)
where:
Base-Base interactions energy: -133.662
where: short stacking energy: -68.651
Base-Backbone interact. energy: -0.041
local terms energy: -71.832984
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -18.691
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: 110
Temperature: 1.000000
Total energy: -191.714766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.714766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.714766 (E_RNA)
where:
Base-Base interactions energy: -119.876
where: short stacking energy: -62.006
Base-Backbone interact. energy: 0.031
local terms energy: -71.869663
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -189.594438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.594438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.594438 (E_RNA)
where:
Base-Base interactions energy: -122.769
where: short stacking energy: -55.797
Base-Backbone interact. energy: -0.147
local terms energy: -66.678676
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -192.965746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.965746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.965746 (E_RNA)
where:
Base-Base interactions energy: -129.446
where: short stacking energy: -58.239
Base-Backbone interact. energy: -0.202
local terms energy: -63.317956
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -135.453209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.453209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.453209 (E_RNA)
where:
Base-Base interactions energy: -72.533
where: short stacking energy: -41.739
Base-Backbone interact. energy: -0.711
local terms energy: -62.209337
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -11.281
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: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -100.604162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.604162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.604162 (E_RNA)
where:
Base-Base interactions energy: -48.323
where: short stacking energy: -39.195
Base-Backbone interact. energy: -0.103
local terms energy: -52.177948
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -2.443
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: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -132.164574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.164574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.164574 (E_RNA)
where:
Base-Base interactions energy: -72.584
where: short stacking energy: -43.202
Base-Backbone interact. energy: -0.172
local terms energy: -59.408359
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -87.972367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.972367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.972367 (E_RNA)
where:
Base-Base interactions energy: -41.375
where: short stacking energy: -37.671
Base-Backbone interact. energy: -0.347
local terms energy: -46.250296
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -116.923444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.923444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.923444 (E_RNA)
where:
Base-Base interactions energy: -72.096
where: short stacking energy: -29.076
Base-Backbone interact. energy: 0.145
local terms energy: -44.972685
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -226.692211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.692211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.692211 (E_RNA)
where:
Base-Base interactions energy: -154.369
where: short stacking energy: -74.133
Base-Backbone interact. energy: -0.000
local terms energy: -72.322865
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -18.735
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: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -204.212135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.212135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.212135 (E_RNA)
where:
Base-Base interactions energy: -139.871
where: short stacking energy: -54.174
Base-Backbone interact. energy: -0.138
local terms energy: -64.203026
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -12.514
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: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -196.871087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.871087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.871087 (E_RNA)
where:
Base-Base interactions energy: -126.763
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.062
local terms energy: -70.046765
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -195.271845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.271845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.271845 (E_RNA)
where:
Base-Base interactions energy: -129.253
where: short stacking energy: -61.841
Base-Backbone interact. energy: -0.117
local terms energy: -65.901562
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -16.246
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: 111
Temperature: 1.100000
Total energy: -179.669396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.669396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.669396 (E_RNA)
where:
Base-Base interactions energy: -124.863
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.040
local terms energy: -54.766216
where:
bonds (distance) C4'-P energy: -7.755
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -126.542983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.542983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.542983 (E_RNA)
where:
Base-Base interactions energy: -72.284
where: short stacking energy: -40.131
Base-Backbone interact. energy: -0.372
local terms energy: -53.886096
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -8.577
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -92.140808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.140808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.140808 (E_RNA)
where:
Base-Base interactions energy: -46.603
where: short stacking energy: -38.453
Base-Backbone interact. energy: -0.016
local terms energy: -45.521774
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -87.139095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.139095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.139095 (E_RNA)
where:
Base-Base interactions energy: -39.111
where: short stacking energy: -25.868
Base-Backbone interact. energy: 1.465
local terms energy: -49.493022
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -6.284
flat angles P-C4'-P energy: -10.129
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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -100.407630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.407630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.407630 (E_RNA)
where:
Base-Base interactions energy: -45.445
where: short stacking energy: -16.475
Base-Backbone interact. energy: -0.557
local terms energy: -54.405935
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -78.183930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.183930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.183930 (E_RNA)
where:
Base-Base interactions energy: -30.428
where: short stacking energy: -30.428
Base-Backbone interact. energy: -0.447
local terms energy: -47.309044
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -232.501924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.501924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.501924 (E_RNA)
where:
Base-Base interactions energy: -155.724
where: short stacking energy: -70.292
Base-Backbone interact. energy: -0.001
local terms energy: -76.776727
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -198.856420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.856420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.856420 (E_RNA)
where:
Base-Base interactions energy: -128.596
where: short stacking energy: -55.372
Base-Backbone interact. energy: -0.091
local terms energy: -70.169796
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -14.919
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: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -193.710018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.710018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.710018 (E_RNA)
where:
Base-Base interactions energy: -126.738
where: short stacking energy: -65.387
Base-Backbone interact. energy: 0.037
local terms energy: -67.009386
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -14.946
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: 112
Temperature: 1.050000
Total energy: -200.823884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.823884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.823884 (E_RNA)
where:
Base-Base interactions energy: -131.584
where: short stacking energy: -66.402
Base-Backbone interact. energy: -0.649
local terms energy: -68.591229
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -12.048
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: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -187.915294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.915294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.915294 (E_RNA)
where:
Base-Base interactions energy: -122.938
where: short stacking energy: -54.398
Base-Backbone interact. energy: -1.332
local terms energy: -63.645277
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -139.677953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.677953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.677953 (E_RNA)
where:
Base-Base interactions energy: -78.006
where: short stacking energy: -45.293
Base-Backbone interact. energy: 0.635
local terms energy: -62.306272
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -11.768
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: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -109.875373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.875373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.875373 (E_RNA)
where:
Base-Base interactions energy: -51.588
where: short stacking energy: -43.733
Base-Backbone interact. energy: -0.027
local terms energy: -58.260843
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -74.371345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.371345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.371345 (E_RNA)
where:
Base-Base interactions energy: -29.563
where: short stacking energy: -29.563
Base-Backbone interact. energy: -0.266
local terms energy: -44.542036
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -6.386
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: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -94.655120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.655120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.655120 (E_RNA)
where:
Base-Base interactions energy: -44.261
where: short stacking energy: -39.992
Base-Backbone interact. energy: -0.105
local terms energy: -50.289330
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -74.686657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.686657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.686657 (E_RNA)
where:
Base-Base interactions energy: -32.324
where: short stacking energy: -32.324
Base-Backbone interact. energy: -0.093
local terms energy: -42.270319
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -8.313
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -230.902462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.902462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.902462 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -69.530
Base-Backbone interact. energy: 1.514
local terms energy: -80.452811
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -205.287339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.287339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.287339 (E_RNA)
where:
Base-Base interactions energy: -139.157
where: short stacking energy: -63.008
Base-Backbone interact. energy: -0.255
local terms energy: -65.875887
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -205.111064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.111064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.111064 (E_RNA)
where:
Base-Base interactions energy: -134.089
where: short stacking energy: -64.436
Base-Backbone interact. energy: -0.159
local terms energy: -70.863076
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -16.879
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: 113
Temperature: 1.050000
Total energy: -189.704260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.704260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.704260 (E_RNA)
where:
Base-Base interactions energy: -122.615
where: short stacking energy: -64.774
Base-Backbone interact. energy: -0.208
local terms energy: -66.881378
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -179.598508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.598508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.598508 (E_RNA)
where:
Base-Base interactions energy: -113.506
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.006
local terms energy: -66.086736
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -18.539
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: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -150.464382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.464382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.464382 (E_RNA)
where:
Base-Base interactions energy: -92.503
where: short stacking energy: -53.002
Base-Backbone interact. energy: -0.046
local terms energy: -57.916022
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -96.183189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.183189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.183189 (E_RNA)
where:
Base-Base interactions energy: -42.102
where: short stacking energy: -31.903
Base-Backbone interact. energy: -0.125
local terms energy: -53.956091
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -88.876236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.876236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.876236 (E_RNA)
where:
Base-Base interactions energy: -49.505
where: short stacking energy: -31.850
Base-Backbone interact. energy: -0.259
local terms energy: -39.112293
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -1.182
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -85.324620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.324620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.324620 (E_RNA)
where:
Base-Base interactions energy: -39.359
where: short stacking energy: -32.690
Base-Backbone interact. energy: -0.506
local terms energy: -45.458919
where:
bonds (distance) C4'-P energy: -6.712
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -73.949644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.949644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.949644 (E_RNA)
where:
Base-Base interactions energy: -27.695
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.332
local terms energy: -45.922613
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -233.232247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.232247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.232247 (E_RNA)
where:
Base-Base interactions energy: -155.541
where: short stacking energy: -78.686
Base-Backbone interact. energy: -0.001
local terms energy: -77.690760
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -197.259493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.259493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.259493 (E_RNA)
where:
Base-Base interactions energy: -128.332
where: short stacking energy: -63.530
Base-Backbone interact. energy: -0.075
local terms energy: -68.851551
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -199.046231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.046231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.046231 (E_RNA)
where:
Base-Base interactions energy: -129.579
where: short stacking energy: -56.356
Base-Backbone interact. energy: -1.407
local terms energy: -68.059725
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -12.905
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: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -191.847963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.847963 (E_RNA)
where:
Base-Base interactions energy: -123.607
where: short stacking energy: -63.228
Base-Backbone interact. energy: -0.030
local terms energy: -68.211250
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -15.225
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: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -192.053977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.053977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.053977 (E_RNA)
where:
Base-Base interactions energy: -131.320
where: short stacking energy: -58.234
Base-Backbone interact. energy: 0.340
local terms energy: -61.073857
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -146.834223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.834223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.834223 (E_RNA)
where:
Base-Base interactions energy: -90.565
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.263
local terms energy: -56.006446
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -80.252609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.252609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.252609 (E_RNA)
where:
Base-Base interactions energy: -28.348
where: short stacking energy: -25.742
Base-Backbone interact. energy: -0.299
local terms energy: -51.605583
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -87.506708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.506708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.506708 (E_RNA)
where:
Base-Base interactions energy: -34.630
where: short stacking energy: -28.723
Base-Backbone interact. energy: -1.064
local terms energy: -51.813016
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -10.469
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: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -90.893043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.893043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.893043 (E_RNA)
where:
Base-Base interactions energy: -44.953
where: short stacking energy: -28.667
Base-Backbone interact. energy: -0.701
local terms energy: -45.238968
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -75.279760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.279760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.279760 (E_RNA)
where:
Base-Base interactions energy: -30.838
where: short stacking energy: -21.806
Base-Backbone interact. energy: 2.120
local terms energy: -46.562332
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -6.918
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: 0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -236.181602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.181602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.181602 (E_RNA)
where:
Base-Base interactions energy: -159.839
where: short stacking energy: -74.198
Base-Backbone interact. energy: -0.002
local terms energy: -76.340633
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -11.339
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: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -195.357316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.357316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.357316 (E_RNA)
where:
Base-Base interactions energy: -131.398
where: short stacking energy: -61.430
Base-Backbone interact. energy: -0.130
local terms energy: -63.829239
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -9.987
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: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -216.902576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.902576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.902576 (E_RNA)
where:
Base-Base interactions energy: -155.514
where: short stacking energy: -53.241
Base-Backbone interact. energy: -1.336
local terms energy: -60.051948
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -10.413
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -6.551
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: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -178.520472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.520472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.520472 (E_RNA)
where:
Base-Base interactions energy: -117.072
where: short stacking energy: -54.845
Base-Backbone interact. energy: -0.146
local terms energy: -61.302114
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -7.351
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -180.763334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.763334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.763334 (E_RNA)
where:
Base-Base interactions energy: -117.854
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.127
local terms energy: -62.782496
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -128.010308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.010308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.010308 (E_RNA)
where:
Base-Base interactions energy: -71.693
where: short stacking energy: -40.079
Base-Backbone interact. energy: -0.273
local terms energy: -56.044040
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -87.044663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.044663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.044663 (E_RNA)
where:
Base-Base interactions energy: -33.747
where: short stacking energy: -31.926
Base-Backbone interact. energy: 1.721
local terms energy: -55.019254
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -90.713298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.713298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.713298 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -30.988
Base-Backbone interact. energy: -0.212
local terms energy: -52.304826
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -92.631333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.631333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.631333 (E_RNA)
where:
Base-Base interactions energy: -44.377
where: short stacking energy: -27.171
Base-Backbone interact. energy: -0.007
local terms energy: -48.246840
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -5.316
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -69.765908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.765908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.765908 (E_RNA)
where:
Base-Base interactions energy: -23.720
where: short stacking energy: -19.448
Base-Backbone interact. energy: 1.357
local terms energy: -47.403215
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -1.938
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: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -230.014821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.014821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.014821 (E_RNA)
where:
Base-Base interactions energy: -152.726
where: short stacking energy: -68.742
Base-Backbone interact. energy: -0.232
local terms energy: -77.057425
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -206.311265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.311265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.311265 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -62.776
Base-Backbone interact. energy: -0.177
local terms energy: -60.882287
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -185.028446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.028446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.028446 (E_RNA)
where:
Base-Base interactions energy: -118.084
where: short stacking energy: -45.200
Base-Backbone interact. energy: -0.139
local terms energy: -66.805320
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -10.748
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: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -201.899619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.899619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.899619 (E_RNA)
where:
Base-Base interactions energy: -144.476
where: short stacking energy: -62.263
Base-Backbone interact. energy: -0.046
local terms energy: -57.377409
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -6.314
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -15.162
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: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -180.799004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.799004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.799004 (E_RNA)
where:
Base-Base interactions energy: -111.258
where: short stacking energy: -63.735
Base-Backbone interact. energy: -0.619
local terms energy: -68.922730
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -15.259
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: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -137.201623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.201623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.201623 (E_RNA)
where:
Base-Base interactions energy: -79.051
where: short stacking energy: -41.863
Base-Backbone interact. energy: -0.328
local terms energy: -57.822282
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -97.577728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.577728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.577728 (E_RNA)
where:
Base-Base interactions energy: -45.215
where: short stacking energy: -22.186
Base-Backbone interact. energy: -0.101
local terms energy: -52.261357
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -87.734034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.734034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.734034 (E_RNA)
where:
Base-Base interactions energy: -30.287
where: short stacking energy: -25.298
Base-Backbone interact. energy: -0.295
local terms energy: -57.151856
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -4.916
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: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -89.185823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.185823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.185823 (E_RNA)
where:
Base-Base interactions energy: -37.964
where: short stacking energy: -21.331
Base-Backbone interact. energy: -0.819
local terms energy: -50.403386
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -6.154
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: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -73.148275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.148275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.148275 (E_RNA)
where:
Base-Base interactions energy: -28.793
where: short stacking energy: -25.175
Base-Backbone interact. energy: 0.032
local terms energy: -44.388055
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -0.901
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: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -234.130785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.130785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.130785 (E_RNA)
where:
Base-Base interactions energy: -155.229
where: short stacking energy: -73.420
Base-Backbone interact. energy: -0.013
local terms energy: -78.889295
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -21.277
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: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -207.017368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.017368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.017368 (E_RNA)
where:
Base-Base interactions energy: -132.924
where: short stacking energy: -68.348
Base-Backbone interact. energy: -0.015
local terms energy: -74.077852
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -200.277512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.277512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.277512 (E_RNA)
where:
Base-Base interactions energy: -125.962
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.022
local terms energy: -74.293653
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -10.300
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: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -211.089680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.089680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.089680 (E_RNA)
where:
Base-Base interactions energy: -137.444
where: short stacking energy: -58.483
Base-Backbone interact. energy: -0.348
local terms energy: -73.297057
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -197.007410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.007410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.007410 (E_RNA)
where:
Base-Base interactions energy: -130.849
where: short stacking energy: -56.595
Base-Backbone interact. energy: -0.519
local terms energy: -65.639176
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -7.455
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: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -120.395779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.395779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.395779 (E_RNA)
where:
Base-Base interactions energy: -67.495
where: short stacking energy: -41.905
Base-Backbone interact. energy: -0.318
local terms energy: -52.582836
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -8.396
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -141.601747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.601747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.601747 (E_RNA)
where:
Base-Base interactions energy: -78.056
where: short stacking energy: -45.247
Base-Backbone interact. energy: -0.084
local terms energy: -63.461919
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -79.434117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.434117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.434117 (E_RNA)
where:
Base-Base interactions energy: -29.595
where: short stacking energy: -27.013
Base-Backbone interact. energy: -0.199
local terms energy: -49.639671
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -86.846504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.846504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.846504 (E_RNA)
where:
Base-Base interactions energy: -35.864
where: short stacking energy: -31.478
Base-Backbone interact. energy: -0.095
local terms energy: -50.887716
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -7.426
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: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -83.163770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.163770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.163770 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -25.488
Base-Backbone interact. energy: -0.190
local terms energy: -46.672536
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -230.028178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.028178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.028178 (E_RNA)
where:
Base-Base interactions energy: -157.291
where: short stacking energy: -80.562
Base-Backbone interact. energy: -0.812
local terms energy: -71.925432
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -9.465
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: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -195.564701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.564701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.564701 (E_RNA)
where:
Base-Base interactions energy: -124.016
where: short stacking energy: -62.781
Base-Backbone interact. energy: 0.127
local terms energy: -71.675440
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -18.795
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: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -209.174076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.174076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.174076 (E_RNA)
where:
Base-Base interactions energy: -136.610
where: short stacking energy: -68.705
Base-Backbone interact. energy: -0.845
local terms energy: -71.719365
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -192.783583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.783583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.783583 (E_RNA)
where:
Base-Base interactions energy: -121.762
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.008
local terms energy: -71.013545
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -187.656015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.656015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.656015 (E_RNA)
where:
Base-Base interactions energy: -123.572
where: short stacking energy: -57.550
Base-Backbone interact. energy: -0.068
local terms energy: -64.016091
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -98.178452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.178452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.178452 (E_RNA)
where:
Base-Base interactions energy: -46.492
where: short stacking energy: -36.722
Base-Backbone interact. energy: -0.138
local terms energy: -51.548057
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -5.223
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: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -103.492404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.492404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.492404 (E_RNA)
where:
Base-Base interactions energy: -42.519
where: short stacking energy: -33.677
Base-Backbone interact. energy: -0.001
local terms energy: -60.972580
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -7.846
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: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -131.827727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.827727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.827727 (E_RNA)
where:
Base-Base interactions energy: -68.721
where: short stacking energy: -43.846
Base-Backbone interact. energy: -0.234
local terms energy: -62.872520
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -11.335
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: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -78.423665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.423665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.423665 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -15.087
Base-Backbone interact. energy: -0.252
local terms energy: -39.445209
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: 7.992
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: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -82.924559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.924559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.924559 (E_RNA)
where:
Base-Base interactions energy: -23.338
where: short stacking energy: -22.944
Base-Backbone interact. energy: -0.153
local terms energy: -59.433825
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -220.148217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.148217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.148217 (E_RNA)
where:
Base-Base interactions energy: -146.780
where: short stacking energy: -64.541
Base-Backbone interact. energy: -0.001
local terms energy: -73.367779
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -5.503
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: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -220.887875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.887875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.887875 (E_RNA)
where:
Base-Base interactions energy: -141.924
where: short stacking energy: -65.630
Base-Backbone interact. energy: -0.781
local terms energy: -78.182729
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -211.953509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.953509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.953509 (E_RNA)
where:
Base-Base interactions energy: -139.160
where: short stacking energy: -62.038
Base-Backbone interact. energy: -0.047
local terms energy: -72.745798
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -16.119
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: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -197.263602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.263602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.263602 (E_RNA)
where:
Base-Base interactions energy: -125.862
where: short stacking energy: -67.169
Base-Backbone interact. energy: -0.017
local terms energy: -71.385466
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -174.663105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.663105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.663105 (E_RNA)
where:
Base-Base interactions energy: -114.661
where: short stacking energy: -50.246
Base-Backbone interact. energy: -0.124
local terms energy: -59.878269
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -15.931
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: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -105.294891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.294891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.294891 (E_RNA)
where:
Base-Base interactions energy: -46.374
where: short stacking energy: -45.526
Base-Backbone interact. energy: -0.003
local terms energy: -58.918087
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -14.351
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: 119
Temperature: 1.200000
Total energy: -103.480416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.480416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.480416 (E_RNA)
where:
Base-Base interactions energy: -49.736
where: short stacking energy: -33.528
Base-Backbone interact. energy: -0.369
local terms energy: -53.375718
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -11.728
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: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -101.253325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.253325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.253325 (E_RNA)
where:
Base-Base interactions energy: -48.570
where: short stacking energy: -31.763
Base-Backbone interact. energy: 0.320
local terms energy: -53.003387
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -82.153518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.153518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.153518 (E_RNA)
where:
Base-Base interactions energy: -41.947
where: short stacking energy: -30.486
Base-Backbone interact. energy: -0.379
local terms energy: -39.827471
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -8.384
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -78.933748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.933748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.933748 (E_RNA)
where:
Base-Base interactions energy: -27.564
where: short stacking energy: -27.564
Base-Backbone interact. energy: -0.012
local terms energy: -51.357120
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -4.938
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: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -223.729044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.729044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.729044 (E_RNA)
where:
Base-Base interactions energy: -152.356
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.628
local terms energy: -70.744755
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -227.278062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.278062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.278062 (E_RNA)
where:
Base-Base interactions energy: -146.530
where: short stacking energy: -72.047
Base-Backbone interact. energy: -0.008
local terms energy: -80.739414
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -198.651245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.651245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.651245 (E_RNA)
where:
Base-Base interactions energy: -120.494
where: short stacking energy: -57.444
Base-Backbone interact. energy: -0.173
local terms energy: -77.984070
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -18.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -189.024804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.024804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.024804 (E_RNA)
where:
Base-Base interactions energy: -117.244
where: short stacking energy: -55.843
Base-Backbone interact. energy: -0.100
local terms energy: -71.680164
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -187.803930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.803930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.803930 (E_RNA)
where:
Base-Base interactions energy: -117.032
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.634
local terms energy: -70.137627
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -112.147232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.147232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.147232 (E_RNA)
where:
Base-Base interactions energy: -58.024
where: short stacking energy: -38.813
Base-Backbone interact. energy: -0.299
local terms energy: -53.824206
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -3.757
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: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -100.337073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.337073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.337073 (E_RNA)
where:
Base-Base interactions energy: -50.821
where: short stacking energy: -33.839
Base-Backbone interact. energy: -0.536
local terms energy: -48.980134
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -7.273
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -91.437948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.437948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.437948 (E_RNA)
where:
Base-Base interactions energy: -44.287
where: short stacking energy: -30.449
Base-Backbone interact. energy: -0.719
local terms energy: -46.431505
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -2.032
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -83.666168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.666168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.666168 (E_RNA)
where:
Base-Base interactions energy: -36.777
where: short stacking energy: -22.079
Base-Backbone interact. energy: -0.809
local terms energy: -46.080362
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: 1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -87.535037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.535037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.535037 (E_RNA)
where:
Base-Base interactions energy: -37.914
where: short stacking energy: -37.914
Base-Backbone interact. energy: -0.160
local terms energy: -49.461538
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -9.729
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: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -227.247652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.247652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.247652 (E_RNA)
where:
Base-Base interactions energy: -159.193
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.157
local terms energy: -67.897285
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -6.724
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: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -218.364255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.364255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.364255 (E_RNA)
where:
Base-Base interactions energy: -150.555
where: short stacking energy: -67.431
Base-Backbone interact. energy: -0.241
local terms energy: -67.568041
where:
bonds (distance) C4'-P energy: -7.074
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -196.410978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.410978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.410978 (E_RNA)
where:
Base-Base interactions energy: -124.174
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.002
local terms energy: -72.235193
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -188.432322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.432322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.432322 (E_RNA)
where:
Base-Base interactions energy: -122.162
where: short stacking energy: -58.952
Base-Backbone interact. energy: -0.293
local terms energy: -65.976577
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -182.543662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.543662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.543662 (E_RNA)
where:
Base-Base interactions energy: -118.231
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.130
local terms energy: -64.181946
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -7.750
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: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -92.516087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.516087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.516087 (E_RNA)
where:
Base-Base interactions energy: -44.047
where: short stacking energy: -31.969
Base-Backbone interact. energy: -0.152
local terms energy: -48.316810
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: 1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -104.150355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.150355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.150355 (E_RNA)
where:
Base-Base interactions energy: -40.822
where: short stacking energy: -40.822
Base-Backbone interact. energy: -0.279
local terms energy: -63.049480
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -8.756
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: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -88.221129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.221129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.221129 (E_RNA)
where:
Base-Base interactions energy: -35.782
where: short stacking energy: -33.760
Base-Backbone interact. energy: 0.020
local terms energy: -52.459414
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -84.185452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.185452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.185452 (E_RNA)
where:
Base-Base interactions energy: -36.378
where: short stacking energy: -31.208
Base-Backbone interact. energy: -0.099
local terms energy: -47.709093
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -85.500397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.500397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.500397 (E_RNA)
where:
Base-Base interactions energy: -38.719
where: short stacking energy: -32.103
Base-Backbone interact. energy: -0.082
local terms energy: -46.699491
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -6.860
flat angles P-C4'-P energy: -10.332
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: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -231.605593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.605593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.605593 (E_RNA)
where:
Base-Base interactions energy: -151.038
where: short stacking energy: -76.966
Base-Backbone interact. energy: -0.005
local terms energy: -80.562681
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -24.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -218.102952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.102952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.102952 (E_RNA)
where:
Base-Base interactions energy: -152.915
where: short stacking energy: -59.791
Base-Backbone interact. energy: -1.038
local terms energy: -64.150368
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -10.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -199.105893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.105893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.105893 (E_RNA)
where:
Base-Base interactions energy: -126.490
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.129
local terms energy: -72.486507
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -193.807422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.807422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.807422 (E_RNA)
where:
Base-Base interactions energy: -125.168
where: short stacking energy: -60.662
Base-Backbone interact. energy: -0.085
local terms energy: -68.553703
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -187.660847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.660847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.660847 (E_RNA)
where:
Base-Base interactions energy: -120.889
where: short stacking energy: -58.040
Base-Backbone interact. energy: -0.049
local terms energy: -66.722751
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -9.016
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: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -98.262338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.262338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.262338 (E_RNA)
where:
Base-Base interactions energy: -37.754
where: short stacking energy: -37.754
Base-Backbone interact. energy: -0.047
local terms energy: -60.461669
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -96.120393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.120393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.120393 (E_RNA)
where:
Base-Base interactions energy: -43.941
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.071
local terms energy: -52.108601
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -77.949384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.949384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.949384 (E_RNA)
where:
Base-Base interactions energy: -33.451
where: short stacking energy: -27.231
Base-Backbone interact. energy: -0.919
local terms energy: -43.580055
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -0.509
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: 122
Temperature: 1.300000
Total energy: -106.393892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.393892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.393892 (E_RNA)
where:
Base-Base interactions energy: -49.324
where: short stacking energy: -44.976
Base-Backbone interact. energy: -0.041
local terms energy: -57.029290
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -14.616
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: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -72.666137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.666137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.666137 (E_RNA)
where:
Base-Base interactions energy: -21.102
where: short stacking energy: -22.002
Base-Backbone interact. energy: -0.527
local terms energy: -51.037259
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: 3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -230.292199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.292199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.292199 (E_RNA)
where:
Base-Base interactions energy: -147.047
where: short stacking energy: -76.075
Base-Backbone interact. energy: -0.122
local terms energy: -83.123237
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -23.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -222.451809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.451809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.451809 (E_RNA)
where:
Base-Base interactions energy: -150.837
where: short stacking energy: -65.098
Base-Backbone interact. energy: 0.509
local terms energy: -72.122995
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -15.285
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: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -180.252741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.252741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.252741 (E_RNA)
where:
Base-Base interactions energy: -117.801
where: short stacking energy: -59.888
Base-Backbone interact. energy: 0.066
local terms energy: -62.517851
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -191.557499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.557499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.557499 (E_RNA)
where:
Base-Base interactions energy: -122.057
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.008
local terms energy: -69.492783
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -184.589853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.589853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.589853 (E_RNA)
where:
Base-Base interactions energy: -125.084
where: short stacking energy: -62.887
Base-Backbone interact. energy: -0.161
local terms energy: -59.344768
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -1.810
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -128.805659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.805659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.805659 (E_RNA)
where:
Base-Base interactions energy: -78.849
where: short stacking energy: -39.555
Base-Backbone interact. energy: -0.133
local terms energy: -49.823687
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -88.974448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.974448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.974448 (E_RNA)
where:
Base-Base interactions energy: -55.141
where: short stacking energy: -22.809
Base-Backbone interact. energy: -0.595
local terms energy: -33.238338
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -6.862
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -80.705008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.705008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.705008 (E_RNA)
where:
Base-Base interactions energy: -37.129
where: short stacking energy: -34.590
Base-Backbone interact. energy: -0.294
local terms energy: -43.282419
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -6.506
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -110.605836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.605836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.605836 (E_RNA)
where:
Base-Base interactions energy: -72.248
where: short stacking energy: -36.339
Base-Backbone interact. energy: -0.044
local terms energy: -38.313562
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -9.511
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -1.289
tors. eta vs tors. theta energy: -7.542
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: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -79.128558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.128558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.128558 (E_RNA)
where:
Base-Base interactions energy: -22.635
where: short stacking energy: -22.635
Base-Backbone interact. energy: -0.036
local terms energy: -56.457533
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -221.000698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.000698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.000698 (E_RNA)
where:
Base-Base interactions energy: -147.181
where: short stacking energy: -69.441
Base-Backbone interact. energy: -0.497
local terms energy: -73.322262
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -12.116
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: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -227.778691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.778691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.778691 (E_RNA)
where:
Base-Base interactions energy: -151.164
where: short stacking energy: -75.328
Base-Backbone interact. energy: 0.515
local terms energy: -77.130200
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -195.288130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.288130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.288130 (E_RNA)
where:
Base-Base interactions energy: -123.122
where: short stacking energy: -72.278
Base-Backbone interact. energy: -0.001
local terms energy: -72.165140
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -16.796
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: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -186.011554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.011554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.011554 (E_RNA)
where:
Base-Base interactions energy: -116.611
where: short stacking energy: -61.144
Base-Backbone interact. energy: 0.744
local terms energy: -70.144563
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -190.046569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.046569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.046569 (E_RNA)
where:
Base-Base interactions energy: -127.239
where: short stacking energy: -49.538
Base-Backbone interact. energy: -0.258
local terms energy: -62.548800
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -4.305
tors. eta vs tors. theta energy: -13.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -187.440375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.440375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.440375 (E_RNA)
where:
Base-Base interactions energy: -124.418
where: short stacking energy: -57.642
Base-Backbone interact. energy: 0.304
local terms energy: -63.327015
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -99.740943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.740943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.740943 (E_RNA)
where:
Base-Base interactions energy: -39.802
where: short stacking energy: -34.195
Base-Backbone interact. energy: 0.359
local terms energy: -60.298158
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -89.562457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.562457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.562457 (E_RNA)
where:
Base-Base interactions energy: -31.866
where: short stacking energy: -31.262
Base-Backbone interact. energy: -0.058
local terms energy: -57.639095
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -160.179874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.179874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.179874 (E_RNA)
where:
Base-Base interactions energy: -103.324
where: short stacking energy: -46.186
Base-Backbone interact. energy: -0.690
local terms energy: -56.166720
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -10.687
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: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -82.459427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.459427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.459427 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -24.243
Base-Backbone interact. energy: -0.210
local terms energy: -48.895974
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -225.800146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.800146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.800146 (E_RNA)
where:
Base-Base interactions energy: -164.074
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.172
local terms energy: -61.554300
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -12.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -223.856825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.856825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.856825 (E_RNA)
where:
Base-Base interactions energy: -146.172
where: short stacking energy: -73.075
Base-Backbone interact. energy: -0.027
local terms energy: -77.658065
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -193.139616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.139616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.139616 (E_RNA)
where:
Base-Base interactions energy: -128.777
where: short stacking energy: -62.733
Base-Backbone interact. energy: 0.289
local terms energy: -64.651036
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -214.688497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.688497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.688497 (E_RNA)
where:
Base-Base interactions energy: -140.988
where: short stacking energy: -67.885
Base-Backbone interact. energy: -0.001
local terms energy: -73.698827
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -173.482100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.482100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.482100 (E_RNA)
where:
Base-Base interactions energy: -109.240
where: short stacking energy: -50.368
Base-Backbone interact. energy: 0.717
local terms energy: -64.959647
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -10.291
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: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -179.758591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.758591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.758591 (E_RNA)
where:
Base-Base interactions energy: -122.995
where: short stacking energy: -44.963
Base-Backbone interact. energy: -0.917
local terms energy: -55.846933
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -92.458180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.458180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.458180 (E_RNA)
where:
Base-Base interactions energy: -37.702
where: short stacking energy: -33.356
Base-Backbone interact. energy: -0.113
local terms energy: -54.643119
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -156.988375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.988375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.988375 (E_RNA)
where:
Base-Base interactions energy: -100.226
where: short stacking energy: -38.624
Base-Backbone interact. energy: -0.447
local terms energy: -56.314774
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -10.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -109.342845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.342845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.342845 (E_RNA)
where:
Base-Base interactions energy: -59.852
where: short stacking energy: -34.271
Base-Backbone interact. energy: 1.588
local terms energy: -51.078055
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -9.204
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -78.446452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.446452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.446452 (E_RNA)
where:
Base-Base interactions energy: -40.674
where: short stacking energy: -24.369
Base-Backbone interact. energy: 1.677
local terms energy: -39.449470
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -5.571
flat angles P-C4'-P energy: -9.960
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: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -226.325660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.325660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.325660 (E_RNA)
where:
Base-Base interactions energy: -146.373
where: short stacking energy: -66.106
Base-Backbone interact. energy: -0.189
local terms energy: -79.763921
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -17.169
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: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -212.751346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.751346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.751346 (E_RNA)
where:
Base-Base interactions energy: -144.438
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.467
local terms energy: -67.846273
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -214.153522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.153522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.153522 (E_RNA)
where:
Base-Base interactions energy: -144.367
where: short stacking energy: -66.321
Base-Backbone interact. energy: -1.188
local terms energy: -68.599318
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -7.940
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: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -188.163731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.163731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.163731 (E_RNA)
where:
Base-Base interactions energy: -120.834
where: short stacking energy: -57.635
Base-Backbone interact. energy: -0.179
local terms energy: -67.150748
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -187.632563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.632563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.632563 (E_RNA)
where:
Base-Base interactions energy: -126.945
where: short stacking energy: -53.478
Base-Backbone interact. energy: -0.023
local terms energy: -60.664377
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -177.606729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.606729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.606729 (E_RNA)
where:
Base-Base interactions energy: -120.472
where: short stacking energy: -53.060
Base-Backbone interact. energy: 0.625
local terms energy: -57.759747
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -9.741
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: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -179.542882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.542882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.542882 (E_RNA)
where:
Base-Base interactions energy: -113.461
where: short stacking energy: -56.586
Base-Backbone interact. energy: 0.380
local terms energy: -66.462189
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -111.412858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.412858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.412858 (E_RNA)
where:
Base-Base interactions energy: -66.237
where: short stacking energy: -43.961
Base-Backbone interact. energy: 2.223
local terms energy: -47.398553
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -79.011110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.011110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.011110 (E_RNA)
where:
Base-Base interactions energy: -26.486
where: short stacking energy: -25.464
Base-Backbone interact. energy: -0.101
local terms energy: -52.424242
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -97.355662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.355662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.355662 (E_RNA)
where:
Base-Base interactions energy: -47.668
where: short stacking energy: -19.539
Base-Backbone interact. energy: -0.271
local terms energy: -49.415776
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -229.585877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.585877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.585877 (E_RNA)
where:
Base-Base interactions energy: -153.946
where: short stacking energy: -71.028
Base-Backbone interact. energy: -0.004
local terms energy: -75.636660
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -22.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -224.741552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.741552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.741552 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -74.600
Base-Backbone interact. energy: -0.001
local terms energy: -80.334012
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -23.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -215.206074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.206074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.206074 (E_RNA)
where:
Base-Base interactions energy: -143.333
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.780
local terms energy: -71.092283
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -191.609687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.609687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.609687 (E_RNA)
where:
Base-Base interactions energy: -125.431
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.069
local terms energy: -66.109212
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -186.232586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.232586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.232586 (E_RNA)
where:
Base-Base interactions energy: -128.205
where: short stacking energy: -60.992
Base-Backbone interact. energy: 0.116
local terms energy: -58.143690
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -183.765865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.765865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.765865 (E_RNA)
where:
Base-Base interactions energy: -118.848
where: short stacking energy: -44.468
Base-Backbone interact. energy: -0.973
local terms energy: -63.944645
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -9.191
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: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -178.147830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.147830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.147830 (E_RNA)
where:
Base-Base interactions energy: -121.909
where: short stacking energy: -59.303
Base-Backbone interact. energy: -0.002
local terms energy: -56.237402
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -6.267
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -107.941329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.941329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.941329 (E_RNA)
where:
Base-Base interactions energy: -57.001
where: short stacking energy: -37.042
Base-Backbone interact. energy: -0.205
local terms energy: -50.734864
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -113.582809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.582809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.582809 (E_RNA)
where:
Base-Base interactions energy: -55.074
where: short stacking energy: -37.428
Base-Backbone interact. energy: -0.085
local terms energy: -58.423892
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -73.205167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.205167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.205167 (E_RNA)
where:
Base-Base interactions energy: -30.059
where: short stacking energy: -27.149
Base-Backbone interact. energy: -0.155
local terms energy: -42.990305
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -6.213
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -224.029865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.029865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.029865 (E_RNA)
where:
Base-Base interactions energy: -142.735
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.285
local terms energy: -81.009965
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -19.194
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: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -226.595497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.595497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.595497 (E_RNA)
where:
Base-Base interactions energy: -149.562
where: short stacking energy: -77.931
Base-Backbone interact. energy: -0.004
local terms energy: -77.029401
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -205.262432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.262432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.262432 (E_RNA)
where:
Base-Base interactions energy: -149.684
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.008
local terms energy: -55.570322
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -198.434677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.434677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.434677 (E_RNA)
where:
Base-Base interactions energy: -122.524
where: short stacking energy: -55.135
Base-Backbone interact. energy: -0.001
local terms energy: -75.910269
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -174.915238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.915238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.915238 (E_RNA)
where:
Base-Base interactions energy: -115.797
where: short stacking energy: -57.145
Base-Backbone interact. energy: -0.023
local terms energy: -59.095340
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -184.327919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.327919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.327919 (E_RNA)
where:
Base-Base interactions energy: -124.393
where: short stacking energy: -54.005
Base-Backbone interact. energy: -0.944
local terms energy: -58.991010
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -12.238
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: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -164.931501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.931501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.931501 (E_RNA)
where:
Base-Base interactions energy: -107.371
where: short stacking energy: -52.527
Base-Backbone interact. energy: -0.137
local terms energy: -57.423453
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -15.097
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: 128
Temperature: 1.250000
Total energy: -150.950155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.950155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.950155 (E_RNA)
where:
Base-Base interactions energy: -90.530
where: short stacking energy: -38.659
Base-Backbone interact. energy: -0.837
local terms energy: -59.583359
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -9.582
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: 128
Temperature: 1.300000
Total energy: -79.063513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.063513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.063513 (E_RNA)
where:
Base-Base interactions energy: -27.075
where: short stacking energy: -22.355
Base-Backbone interact. energy: 1.112
local terms energy: -53.100731
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -0.501
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: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -79.737216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.737216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.737216 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -29.420
Base-Backbone interact. energy: -0.172
local terms energy: -48.157048
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -4.057
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: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -224.772926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.772926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.772926 (E_RNA)
where:
Base-Base interactions energy: -146.853
where: short stacking energy: -68.308
Base-Backbone interact. energy: -0.369
local terms energy: -77.551263
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -22.790
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: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -226.264328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.264328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.264328 (E_RNA)
where:
Base-Base interactions energy: -154.779
where: short stacking energy: -58.724
Base-Backbone interact. energy: -0.456
local terms energy: -71.029898
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -221.991337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.991337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.991337 (E_RNA)
where:
Base-Base interactions energy: -153.159
where: short stacking energy: -68.352
Base-Backbone interact. energy: -0.001
local terms energy: -68.832162
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -186.740331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.740331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.740331 (E_RNA)
where:
Base-Base interactions energy: -125.248
where: short stacking energy: -55.926
Base-Backbone interact. energy: -0.147
local terms energy: -61.345365
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -9.280
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: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -191.742172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.742172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.742172 (E_RNA)
where:
Base-Base interactions energy: -117.124
where: short stacking energy: -49.633
Base-Backbone interact. energy: -0.885
local terms energy: -73.733132
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -171.328137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.328137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.328137 (E_RNA)
where:
Base-Base interactions energy: -105.552
where: short stacking energy: -48.600
Base-Backbone interact. energy: -0.114
local terms energy: -65.661973
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -178.615270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.615270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.615270 (E_RNA)
where:
Base-Base interactions energy: -115.772
where: short stacking energy: -59.506
Base-Backbone interact. energy: -0.014
local terms energy: -62.828963
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -160.800537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.800537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.800537 (E_RNA)
where:
Base-Base interactions energy: -105.807
where: short stacking energy: -41.911
Base-Backbone interact. energy: -0.286
local terms energy: -54.707431
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -7.003
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: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -90.694982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.694982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.694982 (E_RNA)
where:
Base-Base interactions energy: -35.111
where: short stacking energy: -27.804
Base-Backbone interact. energy: -0.022
local terms energy: -55.561981
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -90.161619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.161619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.161619 (E_RNA)
where:
Base-Base interactions energy: -38.367
where: short stacking energy: -32.144
Base-Backbone interact. energy: -0.215
local terms energy: -51.579599
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -230.924873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.924873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.924873 (E_RNA)
where:
Base-Base interactions energy: -154.156
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.123
local terms energy: -76.646456
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -225.078269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.078269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.078269 (E_RNA)
where:
Base-Base interactions energy: -151.905
where: short stacking energy: -71.211
Base-Backbone interact. energy: -0.005
local terms energy: -73.167362
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -218.109526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.109526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.109526 (E_RNA)
where:
Base-Base interactions energy: -144.278
where: short stacking energy: -67.153
Base-Backbone interact. energy: -0.771
local terms energy: -73.060171
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -9.012
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: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -197.241838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.241838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.241838 (E_RNA)
where:
Base-Base interactions energy: -133.449
where: short stacking energy: -57.172
Base-Backbone interact. energy: -0.018
local terms energy: -63.774931
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -13.961
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: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -190.283902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.283902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.283902 (E_RNA)
where:
Base-Base interactions energy: -121.717
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.126
local terms energy: -68.441370
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -16.782
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: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -176.410190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.410190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.410190 (E_RNA)
where:
Base-Base interactions energy: -118.801
where: short stacking energy: -59.292
Base-Backbone interact. energy: -0.739
local terms energy: -56.869939
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -15.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -172.260818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.260818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.260818 (E_RNA)
where:
Base-Base interactions energy: -114.796
where: short stacking energy: -50.037
Base-Backbone interact. energy: -0.022
local terms energy: -57.442755
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -131.186116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.186116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.186116 (E_RNA)
where:
Base-Base interactions energy: -79.282
where: short stacking energy: -41.310
Base-Backbone interact. energy: -0.314
local terms energy: -51.590602
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -83.893576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.893576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.893576 (E_RNA)
where:
Base-Base interactions energy: -35.531
where: short stacking energy: -33.714
Base-Backbone interact. energy: -0.088
local terms energy: -48.274376
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -7.151
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -5.690
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: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -75.102292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.102292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.102292 (E_RNA)
where:
Base-Base interactions energy: -27.997
where: short stacking energy: -23.334
Base-Backbone interact. energy: -1.399
local terms energy: -45.707083
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: 2.173
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: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -216.893677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.893677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.893677 (E_RNA)
where:
Base-Base interactions energy: -155.353
where: short stacking energy: -58.520
Base-Backbone interact. energy: -0.339
local terms energy: -61.201460
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -224.998408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.998408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.998408 (E_RNA)
where:
Base-Base interactions energy: -144.386
where: short stacking energy: -71.878
Base-Backbone interact. energy: -0.041
local terms energy: -80.570522
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -22.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -225.216723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.216723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.216723 (E_RNA)
where:
Base-Base interactions energy: -150.160
where: short stacking energy: -76.571
Base-Backbone interact. energy: -0.001
local terms energy: -75.055639
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -183.273644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.273644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.273644 (E_RNA)
where:
Base-Base interactions energy: -124.697
where: short stacking energy: -46.612
Base-Backbone interact. energy: -0.021
local terms energy: -58.556232
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -10.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -186.896780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.896780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.896780 (E_RNA)
where:
Base-Base interactions energy: -126.947
where: short stacking energy: -59.336
Base-Backbone interact. energy: 2.148
local terms energy: -62.098183
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -12.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -184.712895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.712895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.712895 (E_RNA)
where:
Base-Base interactions energy: -120.485
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.003
local terms energy: -64.224534
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -173.495905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.495905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.495905 (E_RNA)
where:
Base-Base interactions energy: -116.295
where: short stacking energy: -50.575
Base-Backbone interact. energy: -0.008
local terms energy: -57.192588
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -1.901
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -125.156431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.156431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.156431 (E_RNA)
where:
Base-Base interactions energy: -72.953
where: short stacking energy: -40.734
Base-Backbone interact. energy: -0.455
local terms energy: -51.748556
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -91.212029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.212029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.212029 (E_RNA)
where:
Base-Base interactions energy: -35.342
where: short stacking energy: -22.256
Base-Backbone interact. energy: -0.384
local terms energy: -55.486370
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -96.301679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.301679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.301679 (E_RNA)
where:
Base-Base interactions energy: -58.479
where: short stacking energy: -30.522
Base-Backbone interact. energy: 0.309
local terms energy: -38.131787
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -1.969
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -220.793340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.793340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.793340 (E_RNA)
where:
Base-Base interactions energy: -154.069
where: short stacking energy: -56.710
Base-Backbone interact. energy: 0.766
local terms energy: -67.490866
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -12.645
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: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -227.907039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.907039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.907039 (E_RNA)
where:
Base-Base interactions energy: -155.454
where: short stacking energy: -72.346
Base-Backbone interact. energy: -0.755
local terms energy: -71.697915
where:
bonds (distance) C4'-P energy: -7.205
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -226.064741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.064741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.064741 (E_RNA)
where:
Base-Base interactions energy: -157.191
where: short stacking energy: -74.863
Base-Backbone interact. energy: -0.170
local terms energy: -68.704099
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -175.788182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.788182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.788182 (E_RNA)
where:
Base-Base interactions energy: -114.167
where: short stacking energy: -47.908
Base-Backbone interact. energy: -0.063
local terms energy: -61.558480
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -185.743632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.743632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.743632 (E_RNA)
where:
Base-Base interactions energy: -122.570
where: short stacking energy: -56.221
Base-Backbone interact. energy: -0.084
local terms energy: -63.089321
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -10.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -179.992250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.992250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.992250 (E_RNA)
where:
Base-Base interactions energy: -116.303
where: short stacking energy: -38.345
Base-Backbone interact. energy: -0.133
local terms energy: -63.556142
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -179.949609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.949609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.949609 (E_RNA)
where:
Base-Base interactions energy: -112.142
where: short stacking energy: -52.053
Base-Backbone interact. energy: -0.081
local terms energy: -67.726878
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -111.214564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.214564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.214564 (E_RNA)
where:
Base-Base interactions energy: -60.429
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.237
local terms energy: -50.548470
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -5.233
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: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -98.031890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.031890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.031890 (E_RNA)
where:
Base-Base interactions energy: -45.036
where: short stacking energy: -45.036
Base-Backbone interact. energy: -0.005
local terms energy: -52.990237
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -8.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -75.750355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.750355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.750355 (E_RNA)
where:
Base-Base interactions energy: -39.870
where: short stacking energy: -30.058
Base-Backbone interact. energy: -0.260
local terms energy: -35.620281
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -7.372
flat angles P-C4'-P energy: -1.977
tors. eta vs tors. theta energy: 1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -230.039350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.039350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.039350 (E_RNA)
where:
Base-Base interactions energy: -160.356
where: short stacking energy: -58.199
Base-Backbone interact. energy: -0.203
local terms energy: -69.479961
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -226.003328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.003328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.003328 (E_RNA)
where:
Base-Base interactions energy: -144.807
where: short stacking energy: -65.071
Base-Backbone interact. energy: -0.000
local terms energy: -81.195676
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -226.644532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.644532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.644532 (E_RNA)
where:
Base-Base interactions energy: -153.441
where: short stacking energy: -70.408
Base-Backbone interact. energy: -0.015
local terms energy: -73.188110
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -179.418390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.418390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.418390 (E_RNA)
where:
Base-Base interactions energy: -114.454
where: short stacking energy: -53.709
Base-Backbone interact. energy: -0.046
local terms energy: -64.918568
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -190.289505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.289505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.289505 (E_RNA)
where:
Base-Base interactions energy: -121.706
where: short stacking energy: -62.638
Base-Backbone interact. energy: -0.001
local terms energy: -68.581806
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -191.887024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.887024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.887024 (E_RNA)
where:
Base-Base interactions energy: -122.467
where: short stacking energy: -61.753
Base-Backbone interact. energy: -0.094
local terms energy: -69.326161
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -9.199
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: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -179.243591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.243591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.243591 (E_RNA)
where:
Base-Base interactions energy: -110.546
where: short stacking energy: -51.810
Base-Backbone interact. energy: 0.234
local terms energy: -68.931528
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -93.986810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.986810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.986810 (E_RNA)
where:
Base-Base interactions energy: -53.249
where: short stacking energy: -34.118
Base-Backbone interact. energy: -0.533
local terms energy: -40.204309
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -6.324
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: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -91.947436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.947436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.947436 (E_RNA)
where:
Base-Base interactions energy: -40.243
where: short stacking energy: -24.643
Base-Backbone interact. energy: -0.290
local terms energy: -51.414474
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -3.980
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: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -90.821029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.821029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.821029 (E_RNA)
where:
Base-Base interactions energy: -38.854
where: short stacking energy: -38.854
Base-Backbone interact. energy: -0.211
local terms energy: -51.756317
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -6.029
tors. eta vs tors. theta energy: -10.863
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: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -229.190673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.190673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.190673 (E_RNA)
where:
Base-Base interactions energy: -157.489
where: short stacking energy: -77.351
Base-Backbone interact. energy: -0.046
local terms energy: -71.655376
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -20.284
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: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -221.460059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.460059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.460059 (E_RNA)
where:
Base-Base interactions energy: -152.753
where: short stacking energy: -63.256
Base-Backbone interact. energy: -0.123
local terms energy: -68.583864
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -192.468991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.468991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.468991 (E_RNA)
where:
Base-Base interactions energy: -120.514
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.005
local terms energy: -71.949620
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -219.745250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.745250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.745250 (E_RNA)
where:
Base-Base interactions energy: -146.599
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.256
local terms energy: -72.890565
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -10.082
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: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -177.214469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.214469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.214469 (E_RNA)
where:
Base-Base interactions energy: -114.967
where: short stacking energy: -57.667
Base-Backbone interact. energy: -0.009
local terms energy: -62.238510
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -155.970043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.970043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.970043 (E_RNA)
where:
Base-Base interactions energy: -93.783
where: short stacking energy: -46.599
Base-Backbone interact. energy: -0.190
local terms energy: -61.997617
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -180.955133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.955133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.955133 (E_RNA)
where:
Base-Base interactions energy: -111.291
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.002
local terms energy: -69.661601
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -18.159
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: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -90.261731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.261731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.261731 (E_RNA)
where:
Base-Base interactions energy: -44.421
where: short stacking energy: -30.482
Base-Backbone interact. energy: 1.480
local terms energy: -47.320724
where:
bonds (distance) C4'-P energy: -7.797
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -83.181648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.181648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.181648 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -28.113
Base-Backbone interact. energy: -0.257
local terms energy: -48.366321
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -72.636252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.636252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.636252 (E_RNA)
where:
Base-Base interactions energy: -27.020
where: short stacking energy: -14.564
Base-Backbone interact. energy: -0.088
local terms energy: -45.528677
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: 2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -231.512573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.512573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.512573 (E_RNA)
where:
Base-Base interactions energy: -156.472
where: short stacking energy: -68.518
Base-Backbone interact. energy: -0.014
local terms energy: -75.025995
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -228.315302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.315302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.315302 (E_RNA)
where:
Base-Base interactions energy: -165.147
where: short stacking energy: -55.711
Base-Backbone interact. energy: -0.154
local terms energy: -63.013634
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -8.835
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: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -185.069220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.069220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.069220 (E_RNA)
where:
Base-Base interactions energy: -119.605
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.012
local terms energy: -65.451750
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -210.356000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.356000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.356000 (E_RNA)
where:
Base-Base interactions energy: -141.037
where: short stacking energy: -67.967
Base-Backbone interact. energy: -0.541
local terms energy: -68.777336
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -198.554162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.554162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.554162 (E_RNA)
where:
Base-Base interactions energy: -139.246
where: short stacking energy: -55.885
Base-Backbone interact. energy: -0.602
local terms energy: -58.706100
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -8.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -172.012307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.012307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.012307 (E_RNA)
where:
Base-Base interactions energy: -110.012
where: short stacking energy: -53.532
Base-Backbone interact. energy: -0.221
local terms energy: -61.779258
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -6.022
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: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -161.581021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.581021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.581021 (E_RNA)
where:
Base-Base interactions energy: -97.432
where: short stacking energy: -46.913
Base-Backbone interact. energy: 0.307
local terms energy: -64.455697
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -11.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -97.380389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.380389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.380389 (E_RNA)
where:
Base-Base interactions energy: -45.738
where: short stacking energy: -23.294
Base-Backbone interact. energy: -1.389
local terms energy: -50.253353
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: 1.566
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: 135
Temperature: 1.300000
Total energy: -75.929648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.929648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.929648 (E_RNA)
where:
Base-Base interactions energy: -29.351
where: short stacking energy: -28.877
Base-Backbone interact. energy: -0.183
local terms energy: -46.395593
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -5.224
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: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -78.538869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.538869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.538869 (E_RNA)
where:
Base-Base interactions energy: -30.602
where: short stacking energy: -30.107
Base-Backbone interact. energy: 0.217
local terms energy: -48.153480
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -233.101941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.101941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.101941 (E_RNA)
where:
Base-Base interactions energy: -153.701
where: short stacking energy: -77.299
Base-Backbone interact. energy: -0.016
local terms energy: -79.384371
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -218.286406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.286406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.286406 (E_RNA)
where:
Base-Base interactions energy: -153.111
where: short stacking energy: -62.890
Base-Backbone interact. energy: -0.232
local terms energy: -64.943001
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -202.408939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.408939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.408939 (E_RNA)
where:
Base-Base interactions energy: -134.256
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.585
local terms energy: -67.568486
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -192.654324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.654324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.654324 (E_RNA)
where:
Base-Base interactions energy: -125.139
where: short stacking energy: -66.822
Base-Backbone interact. energy: -0.019
local terms energy: -67.496182
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -195.971157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.971157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.971157 (E_RNA)
where:
Base-Base interactions energy: -130.670
where: short stacking energy: -59.672
Base-Backbone interact. energy: -0.268
local terms energy: -65.032489
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -174.476519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.476519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.476519 (E_RNA)
where:
Base-Base interactions energy: -114.032
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.011
local terms energy: -60.433537
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -190.900961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.900961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.900961 (E_RNA)
where:
Base-Base interactions energy: -127.172
where: short stacking energy: -65.736
Base-Backbone interact. energy: -0.010
local terms energy: -63.719060
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -13.844
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: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -84.577003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.577003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.577003 (E_RNA)
where:
Base-Base interactions energy: -44.602
where: short stacking energy: -23.979
Base-Backbone interact. energy: -0.362
local terms energy: -39.613763
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: 0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -119.414091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.414091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.414091 (E_RNA)
where:
Base-Base interactions energy: -65.850
where: short stacking energy: -36.932
Base-Backbone interact. energy: -0.241
local terms energy: -53.322724
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -9.462
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -7.566
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: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -75.690964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.690964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.690964 (E_RNA)
where:
Base-Base interactions energy: -28.872
where: short stacking energy: -28.348
Base-Backbone interact. energy: 0.632
local terms energy: -47.451878
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -9.395
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -236.140964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.140964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.140964 (E_RNA)
where:
Base-Base interactions energy: -153.156
where: short stacking energy: -74.524
Base-Backbone interact. energy: -0.600
local terms energy: -82.385250
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -227.747276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.747276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.747276 (E_RNA)
where:
Base-Base interactions energy: -156.003
where: short stacking energy: -61.241
Base-Backbone interact. energy: 0.380
local terms energy: -72.124189
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -9.568
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: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -221.092994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.092994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.092994 (E_RNA)
where:
Base-Base interactions energy: -143.056
where: short stacking energy: -70.461
Base-Backbone interact. energy: -0.138
local terms energy: -77.899674
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -8.740
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: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -200.346334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.346334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.346334 (E_RNA)
where:
Base-Base interactions energy: -124.942
where: short stacking energy: -71.259
Base-Backbone interact. energy: -0.017
local terms energy: -75.387647
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -178.063664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.063664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.063664 (E_RNA)
where:
Base-Base interactions energy: -106.137
where: short stacking energy: -53.509
Base-Backbone interact. energy: 0.425
local terms energy: -72.351401
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -5.182
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: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -176.723815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.723815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.723815 (E_RNA)
where:
Base-Base interactions energy: -110.313
where: short stacking energy: -45.425
Base-Backbone interact. energy: -0.179
local terms energy: -66.231933
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -173.017301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.017301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.017301 (E_RNA)
where:
Base-Base interactions energy: -111.118
where: short stacking energy: -55.572
Base-Backbone interact. energy: -0.003
local terms energy: -61.896751
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -84.325710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.325710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.325710 (E_RNA)
where:
Base-Base interactions energy: -31.894
where: short stacking energy: -31.887
Base-Backbone interact. energy: -0.408
local terms energy: -52.022898
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -90.192196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.192196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.192196 (E_RNA)
where:
Base-Base interactions energy: -44.124
where: short stacking energy: -21.591
Base-Backbone interact. energy: -0.549
local terms energy: -45.519319
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -7.795
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: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -75.799403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.799403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.799403 (E_RNA)
where:
Base-Base interactions energy: -32.899
where: short stacking energy: -26.492
Base-Backbone interact. energy: -0.921
local terms energy: -41.979350
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -4.615
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -238.814436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.814436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.814436 (E_RNA)
where:
Base-Base interactions energy: -154.956
where: short stacking energy: -73.400
Base-Backbone interact. energy: -0.002
local terms energy: -83.856810
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -22.474
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: 138
Temperature: 0.950000
Total energy: -223.260635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.260635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.260635 (E_RNA)
where:
Base-Base interactions energy: -162.614
where: short stacking energy: -50.851
Base-Backbone interact. energy: -0.251
local terms energy: -60.395421
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -228.003201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.003201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.003201 (E_RNA)
where:
Base-Base interactions energy: -149.284
where: short stacking energy: -76.174
Base-Backbone interact. energy: -0.002
local terms energy: -78.716926
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -21.216
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: 138
Temperature: 1.050000
Total energy: -186.698826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.698826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.698826 (E_RNA)
where:
Base-Base interactions energy: -122.992
where: short stacking energy: -50.491
Base-Backbone interact. energy: -0.998
local terms energy: -62.709036
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -3.032
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -196.444286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.444286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.444286 (E_RNA)
where:
Base-Base interactions energy: -125.208
where: short stacking energy: -70.141
Base-Backbone interact. energy: -0.002
local terms energy: -71.234238
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -181.666498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.666498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.666498 (E_RNA)
where:
Base-Base interactions energy: -119.092
where: short stacking energy: -59.930
Base-Backbone interact. energy: -0.070
local terms energy: -62.504230
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -8.925
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -169.354570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.354570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.354570 (E_RNA)
where:
Base-Base interactions energy: -108.007
where: short stacking energy: -44.961
Base-Backbone interact. energy: -0.003
local terms energy: -61.344659
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -101.241146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.241146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.241146 (E_RNA)
where:
Base-Base interactions energy: -56.115
where: short stacking energy: -25.106
Base-Backbone interact. energy: 1.177
local terms energy: -46.303459
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: 1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -81.267474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.267474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.267474 (E_RNA)
where:
Base-Base interactions energy: -26.559
where: short stacking energy: -24.213
Base-Backbone interact. energy: -0.124
local terms energy: -54.584375
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -88.409162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.409162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.409162 (E_RNA)
where:
Base-Base interactions energy: -38.137
where: short stacking energy: -25.233
Base-Backbone interact. energy: -0.149
local terms energy: -50.123221
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -3.735
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -229.609190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.609190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.609190 (E_RNA)
where:
Base-Base interactions energy: -151.662
where: short stacking energy: -77.109
Base-Backbone interact. energy: -0.158
local terms energy: -77.788976
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -10.630
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: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -210.263205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.263205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.263205 (E_RNA)
where:
Base-Base interactions energy: -135.779
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.004
local terms energy: -74.479871
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -24.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -211.715655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.715655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.715655 (E_RNA)
where:
Base-Base interactions energy: -151.024
where: short stacking energy: -58.410
Base-Backbone interact. energy: -0.162
local terms energy: -60.529444
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -190.110444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.110444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.110444 (E_RNA)
where:
Base-Base interactions energy: -121.122
where: short stacking energy: -55.831
Base-Backbone interact. energy: -0.003
local terms energy: -68.985855
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -189.887891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.887891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.887891 (E_RNA)
where:
Base-Base interactions energy: -124.990
where: short stacking energy: -48.687
Base-Backbone interact. energy: -1.271
local terms energy: -63.627284
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -2.611
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -177.007711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.007711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.007711 (E_RNA)
where:
Base-Base interactions energy: -110.465
where: short stacking energy: -48.726
Base-Backbone interact. energy: -0.097
local terms energy: -66.445609
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -149.489584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.489584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.489584 (E_RNA)
where:
Base-Base interactions energy: -89.528
where: short stacking energy: -45.893
Base-Backbone interact. energy: -1.174
local terms energy: -58.788055
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -9.131
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: 139
Temperature: 1.250000
Total energy: -82.621848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.621848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.621848 (E_RNA)
where:
Base-Base interactions energy: -35.643
where: short stacking energy: -27.590
Base-Backbone interact. energy: -0.174
local terms energy: -46.805157
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: 0.970
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: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -92.381203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.381203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.381203 (E_RNA)
where:
Base-Base interactions energy: -38.917
where: short stacking energy: -36.599
Base-Backbone interact. energy: -0.240
local terms energy: -53.224309
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -74.745034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.745034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.745034 (E_RNA)
where:
Base-Base interactions energy: -36.940
where: short stacking energy: -33.142
Base-Backbone interact. energy: -0.076
local terms energy: -37.729696
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -9.439
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -5.194
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: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -233.194964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.194964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.194964 (E_RNA)
where:
Base-Base interactions energy: -157.378
where: short stacking energy: -79.319
Base-Backbone interact. energy: 1.802
local terms energy: -77.618897
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -21.848
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: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -213.374346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.374346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.374346 (E_RNA)
where:
Base-Base interactions energy: -145.570
where: short stacking energy: -62.048
Base-Backbone interact. energy: 0.174
local terms energy: -67.978943
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -204.746679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.746679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.746679 (E_RNA)
where:
Base-Base interactions energy: -144.992
where: short stacking energy: -56.677
Base-Backbone interact. energy: -0.200
local terms energy: -59.554758
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -13.476
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: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -192.531450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.531450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.531450 (E_RNA)
where:
Base-Base interactions energy: -127.862
where: short stacking energy: -60.044
Base-Backbone interact. energy: -0.158
local terms energy: -64.511560
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: -18.814
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: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -183.335834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.335834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.335834 (E_RNA)
where:
Base-Base interactions energy: -120.793
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.075
local terms energy: -62.467050
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -3.176
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: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -178.126213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.126213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.126213 (E_RNA)
where:
Base-Base interactions energy: -118.558
where: short stacking energy: -52.374
Base-Backbone interact. energy: 0.124
local terms energy: -59.692309
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -11.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -137.965499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.965499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.965499 (E_RNA)
where:
Base-Base interactions energy: -80.271
where: short stacking energy: -50.119
Base-Backbone interact. energy: -0.770
local terms energy: -56.924180
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -103.606058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.606058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.606058 (E_RNA)
where:
Base-Base interactions energy: -53.681
where: short stacking energy: -37.428
Base-Backbone interact. energy: -0.162
local terms energy: -49.763045
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -5.901
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: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -74.534403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.534403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.534403 (E_RNA)
where:
Base-Base interactions energy: -35.472
where: short stacking energy: -25.863
Base-Backbone interact. energy: 0.868
local terms energy: -39.930238
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -7.375
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -0.033
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: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -79.585483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.585483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.585483 (E_RNA)
where:
Base-Base interactions energy: -32.328
where: short stacking energy: -32.328
Base-Backbone interact. energy: 1.659
local terms energy: -48.916262
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -232.576819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.576819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.576819 (E_RNA)
where:
Base-Base interactions energy: -157.240
where: short stacking energy: -80.669
Base-Backbone interact. energy: -0.000
local terms energy: -75.336865
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -9.733
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: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -230.992789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.992789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.992789 (E_RNA)
where:
Base-Base interactions energy: -150.060
where: short stacking energy: -72.184
Base-Backbone interact. energy: -0.002
local terms energy: -80.930985
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -188.860178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.860178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.860178 (E_RNA)
where:
Base-Base interactions energy: -121.233
where: short stacking energy: -60.187
Base-Backbone interact. energy: -0.167
local terms energy: -67.460260
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -192.242759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.242759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.242759 (E_RNA)
where:
Base-Base interactions energy: -121.513
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.172
local terms energy: -70.558024
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -20.217
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: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -180.379158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.379158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.379158 (E_RNA)
where:
Base-Base interactions energy: -115.895
where: short stacking energy: -47.131
Base-Backbone interact. energy: -0.098
local terms energy: -64.385759
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -178.010803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.010803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.010803 (E_RNA)
where:
Base-Base interactions energy: -115.941
where: short stacking energy: -54.885
Base-Backbone interact. energy: -0.025
local terms energy: -62.045109
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -149.507890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.507890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.507890 (E_RNA)
where:
Base-Base interactions energy: -95.508
where: short stacking energy: -44.303
Base-Backbone interact. energy: -0.146
local terms energy: -53.854528
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -102.146935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.146935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.146935 (E_RNA)
where:
Base-Base interactions energy: -54.064
where: short stacking energy: -47.019
Base-Backbone interact. energy: -0.663
local terms energy: -47.420251
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -90.483125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.483125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.483125 (E_RNA)
where:
Base-Base interactions energy: -35.381
where: short stacking energy: -34.380
Base-Backbone interact. energy: -0.087
local terms energy: -55.015540
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -69.694710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.694710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.694710 (E_RNA)
where:
Base-Base interactions energy: -26.004
where: short stacking energy: -16.110
Base-Backbone interact. energy: -0.452
local terms energy: -43.238404
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: 6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -236.714520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.714520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.714520 (E_RNA)
where:
Base-Base interactions energy: -154.889
where: short stacking energy: -77.666
Base-Backbone interact. energy: 0.187
local terms energy: -82.012844
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -221.687491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.687491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.687491 (E_RNA)
where:
Base-Base interactions energy: -149.973
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.071
local terms energy: -71.643591
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -187.776201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.776201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.776201 (E_RNA)
where:
Base-Base interactions energy: -122.332
where: short stacking energy: -63.643
Base-Backbone interact. energy: -0.007
local terms energy: -65.437446
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -188.827291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.827291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.827291 (E_RNA)
where:
Base-Base interactions energy: -119.999
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.015
local terms energy: -68.813633
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -181.990738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.990738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.990738 (E_RNA)
where:
Base-Base interactions energy: -115.214
where: short stacking energy: -47.579
Base-Backbone interact. energy: -0.223
local terms energy: -66.553328
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -11.693
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: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -183.767559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.767559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.767559 (E_RNA)
where:
Base-Base interactions energy: -117.149
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.644
local terms energy: -65.974116
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -167.145732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.145732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.145732 (E_RNA)
where:
Base-Base interactions energy: -102.994
where: short stacking energy: -50.371
Base-Backbone interact. energy: -0.325
local terms energy: -63.826163
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -11.224
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: 142
Temperature: 1.250000
Total energy: -79.613178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.613178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.613178 (E_RNA)
where:
Base-Base interactions energy: -28.204
where: short stacking energy: -28.204
Base-Backbone interact. energy: -0.047
local terms energy: -51.362628
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -8.509
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: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -100.866949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.866949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.866949 (E_RNA)
where:
Base-Base interactions energy: -43.988
where: short stacking energy: -43.988
Base-Backbone interact. energy: -0.100
local terms energy: -56.778709
where:
bonds (distance) C4'-P energy: -8.214
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -80.216416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.216416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.216416 (E_RNA)
where:
Base-Base interactions energy: -34.364
where: short stacking energy: -25.868
Base-Backbone interact. energy: -0.430
local terms energy: -45.422653
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: 0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -233.541278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.541278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.541278 (E_RNA)
where:
Base-Base interactions energy: -153.017
where: short stacking energy: -70.543
Base-Backbone interact. energy: -0.172
local terms energy: -80.351624
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -19.392
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: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -201.697693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.697693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.697693 (E_RNA)
where:
Base-Base interactions energy: -132.664
where: short stacking energy: -60.809
Base-Backbone interact. energy: -0.013
local terms energy: -69.020426
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -12.864
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: 143
Temperature: 1.000000
Total energy: -202.167991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.167991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.167991 (E_RNA)
where:
Base-Base interactions energy: -130.542
where: short stacking energy: -67.145
Base-Backbone interact. energy: -0.164
local terms energy: -71.462518
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -193.187741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.187741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.187741 (E_RNA)
where:
Base-Base interactions energy: -128.403
where: short stacking energy: -61.650
Base-Backbone interact. energy: -0.002
local terms energy: -64.782788
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -184.622117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.622117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.622117 (E_RNA)
where:
Base-Base interactions energy: -114.458
where: short stacking energy: -55.369
Base-Backbone interact. energy: -0.008
local terms energy: -70.156066
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -10.087
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: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -176.720037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.720037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.720037 (E_RNA)
where:
Base-Base interactions energy: -110.880
where: short stacking energy: -44.720
Base-Backbone interact. energy: 0.587
local terms energy: -66.427024
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -9.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -193.146804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.146804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.146804 (E_RNA)
where:
Base-Base interactions energy: -128.549
where: short stacking energy: -62.815
Base-Backbone interact. energy: -0.008
local terms energy: -64.589684
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -80.166157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.166157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.166157 (E_RNA)
where:
Base-Base interactions energy: -33.340
where: short stacking energy: -31.451
Base-Backbone interact. energy: 0.841
local terms energy: -47.667285
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -1.621
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: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -79.818326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.818326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.818326 (E_RNA)
where:
Base-Base interactions energy: -30.506
where: short stacking energy: -28.135
Base-Backbone interact. energy: -0.848
local terms energy: -48.464717
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -73.146020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.146020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.146020 (E_RNA)
where:
Base-Base interactions energy: -23.953
where: short stacking energy: -22.311
Base-Backbone interact. energy: 0.690
local terms energy: -49.882318
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -199.387204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.387204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.387204 (E_RNA)
where:
Base-Base interactions energy: -125.687
where: short stacking energy: -63.914
Base-Backbone interact. energy: -0.011
local terms energy: -73.689389
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -226.738690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.738690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.738690 (E_RNA)
where:
Base-Base interactions energy: -149.922
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.295
local terms energy: -76.522432
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -210.014442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.014442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.014442 (E_RNA)
where:
Base-Base interactions energy: -132.448
where: short stacking energy: -63.057
Base-Backbone interact. energy: -0.221
local terms energy: -77.345600
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -188.645011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.645011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.645011 (E_RNA)
where:
Base-Base interactions energy: -112.418
where: short stacking energy: -52.134
Base-Backbone interact. energy: 0.328
local terms energy: -76.554715
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -184.241322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.241322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.241322 (E_RNA)
where:
Base-Base interactions energy: -121.251
where: short stacking energy: -54.571
Base-Backbone interact. energy: 0.456
local terms energy: -63.445909
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -173.120390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.120390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.120390 (E_RNA)
where:
Base-Base interactions energy: -105.063
where: short stacking energy: -50.947
Base-Backbone interact. energy: -0.045
local terms energy: -68.012128
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -187.415183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.415183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.415183 (E_RNA)
where:
Base-Base interactions energy: -124.759
where: short stacking energy: -52.995
Base-Backbone interact. energy: -0.022
local terms energy: -62.634401
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -96.059686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.059686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.059686 (E_RNA)
where:
Base-Base interactions energy: -39.785
where: short stacking energy: -31.228
Base-Backbone interact. energy: 0.010
local terms energy: -56.284372
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -5.309
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: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -75.086376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.086376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.086376 (E_RNA)
where:
Base-Base interactions energy: -28.560
where: short stacking energy: -28.560
Base-Backbone interact. energy: -0.179
local terms energy: -46.346809
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -9.638
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: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -70.836423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.836423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.836423 (E_RNA)
where:
Base-Base interactions energy: -23.338
where: short stacking energy: -22.228
Base-Backbone interact. energy: -0.282
local terms energy: -47.216576
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -206.423740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.423740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.423740 (E_RNA)
where:
Base-Base interactions energy: -130.351
where: short stacking energy: -55.772
Base-Backbone interact. energy: 0.798
local terms energy: -76.870576
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -225.252792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.252792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.252792 (E_RNA)
where:
Base-Base interactions energy: -149.444
where: short stacking energy: -72.699
Base-Backbone interact. energy: 0.402
local terms energy: -76.210612
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -222.512549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.512549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.512549 (E_RNA)
where:
Base-Base interactions energy: -147.041
where: short stacking energy: -75.551
Base-Backbone interact. energy: -0.579
local terms energy: -74.892609
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -191.989262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.989262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.989262 (E_RNA)
where:
Base-Base interactions energy: -121.344
where: short stacking energy: -56.017
Base-Backbone interact. energy: -0.632
local terms energy: -70.013382
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -176.595724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.595724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.595724 (E_RNA)
where:
Base-Base interactions energy: -120.460
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.001
local terms energy: -56.135378
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -7.979
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -5.116
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: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -195.678367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.678367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.678367 (E_RNA)
where:
Base-Base interactions energy: -136.935
where: short stacking energy: -66.076
Base-Backbone interact. energy: -0.069
local terms energy: -58.674781
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -2.847
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -17.093
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: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -175.058949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.058949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.058949 (E_RNA)
where:
Base-Base interactions energy: -110.338
where: short stacking energy: -42.678
Base-Backbone interact. energy: -0.141
local terms energy: -64.580169
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -14.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -86.924026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.924026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.924026 (E_RNA)
where:
Base-Base interactions energy: -29.288
where: short stacking energy: -26.185
Base-Backbone interact. energy: -0.074
local terms energy: -57.562765
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -82.679595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.679595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.679595 (E_RNA)
where:
Base-Base interactions energy: -32.470
where: short stacking energy: -32.470
Base-Backbone interact. energy: -0.109
local terms energy: -50.099922
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -74.356950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.356950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.356950 (E_RNA)
where:
Base-Base interactions energy: -25.950
where: short stacking energy: -22.494
Base-Backbone interact. energy: -0.240
local terms energy: -48.167258
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -4.259
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -210.418889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.418889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.418889 (E_RNA)
where:
Base-Base interactions energy: -149.325
where: short stacking energy: -55.098
Base-Backbone interact. energy: -1.126
local terms energy: -59.968017
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -219.278583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.278583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.278583 (E_RNA)
where:
Base-Base interactions energy: -141.362
where: short stacking energy: -67.746
Base-Backbone interact. energy: -0.045
local terms energy: -77.871636
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -217.968016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.968016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.968016 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -65.102
Base-Backbone interact. energy: -0.009
local terms energy: -74.156745
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -19.697
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: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -194.786808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.786808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.786808 (E_RNA)
where:
Base-Base interactions energy: -129.884
where: short stacking energy: -68.594
Base-Backbone interact. energy: 0.414
local terms energy: -65.316766
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -186.587919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.587919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.587919 (E_RNA)
where:
Base-Base interactions energy: -116.527
where: short stacking energy: -51.140
Base-Backbone interact. energy: 0.198
local terms energy: -70.258783
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -191.323220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.323220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.323220 (E_RNA)
where:
Base-Base interactions energy: -124.270
where: short stacking energy: -57.724
Base-Backbone interact. energy: -0.191
local terms energy: -66.862281
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -13.305
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: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -181.029801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.029801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.029801 (E_RNA)
where:
Base-Base interactions energy: -121.829
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.456
local terms energy: -58.744827
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -89.871078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.871078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.871078 (E_RNA)
where:
Base-Base interactions energy: -31.501
where: short stacking energy: -30.804
Base-Backbone interact. energy: -0.079
local terms energy: -58.290863
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -90.679133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.679133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.679133 (E_RNA)
where:
Base-Base interactions energy: -31.174
where: short stacking energy: -31.174
Base-Backbone interact. energy: -0.005
local terms energy: -59.500073
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -83.861020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.861020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.861020 (E_RNA)
where:
Base-Base interactions energy: -32.018
where: short stacking energy: -28.112
Base-Backbone interact. energy: -0.239
local terms energy: -51.603271
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -1.458
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: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -199.361240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.361240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.361240 (E_RNA)
where:
Base-Base interactions energy: -134.345
where: short stacking energy: -59.197
Base-Backbone interact. energy: -0.125
local terms energy: -64.891152
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -12.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -237.950753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.950753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.950753 (E_RNA)
where:
Base-Base interactions energy: -154.342
where: short stacking energy: -76.520
Base-Backbone interact. energy: -0.042
local terms energy: -83.566740
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -206.453420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.453420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.453420 (E_RNA)
where:
Base-Base interactions energy: -138.447
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.538
local terms energy: -67.469340
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -191.250062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.250062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.250062 (E_RNA)
where:
Base-Base interactions energy: -122.409
where: short stacking energy: -67.665
Base-Backbone interact. energy: -0.001
local terms energy: -68.840009
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -192.190524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.190524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.190524 (E_RNA)
where:
Base-Base interactions energy: -123.909
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.001
local terms energy: -68.280801
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -18.893
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: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -182.747710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.747710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.747710 (E_RNA)
where:
Base-Base interactions energy: -121.272
where: short stacking energy: -51.629
Base-Backbone interact. energy: -0.149
local terms energy: -61.325986
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -191.092315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.092315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.092315 (E_RNA)
where:
Base-Base interactions energy: -121.315
where: short stacking energy: -62.067
Base-Backbone interact. energy: -0.003
local terms energy: -69.773955
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -112.149331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.149331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.149331 (E_RNA)
where:
Base-Base interactions energy: -51.873
where: short stacking energy: -36.523
Base-Backbone interact. energy: -0.215
local terms energy: -60.061400
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -7.137
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: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -83.387041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.387041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.387041 (E_RNA)
where:
Base-Base interactions energy: -28.708
where: short stacking energy: -28.075
Base-Backbone interact. energy: -0.219
local terms energy: -54.460237
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -74.880291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.880291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.880291 (E_RNA)
where:
Base-Base interactions energy: -29.352
where: short stacking energy: -24.323
Base-Backbone interact. energy: -0.577
local terms energy: -44.951804
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -231.948606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.948606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.948606 (E_RNA)
where:
Base-Base interactions energy: -154.973
where: short stacking energy: -73.868
Base-Backbone interact. energy: -0.167
local terms energy: -76.809161
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -19.013
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: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -217.808177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.808177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.808177 (E_RNA)
where:
Base-Base interactions energy: -142.839
where: short stacking energy: -67.681
Base-Backbone interact. energy: -0.004
local terms energy: -74.965384
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -193.610951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.610951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.610951 (E_RNA)
where:
Base-Base interactions energy: -128.449
where: short stacking energy: -59.353
Base-Backbone interact. energy: -1.123
local terms energy: -64.038502
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -195.029740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.029740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.029740 (E_RNA)
where:
Base-Base interactions energy: -127.356
where: short stacking energy: -55.169
Base-Backbone interact. energy: -0.721
local terms energy: -66.952734
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -15.997
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: 148
Temperature: 1.100000
Total energy: -187.130742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.130742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.130742 (E_RNA)
where:
Base-Base interactions energy: -123.880
where: short stacking energy: -51.465
Base-Backbone interact. energy: -0.146
local terms energy: -63.104133
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -11.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -183.486650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.486650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.486650 (E_RNA)
where:
Base-Base interactions energy: -123.259
where: short stacking energy: -60.886
Base-Backbone interact. energy: -0.004
local terms energy: -60.223470
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -176.257336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.257336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.257336 (E_RNA)
where:
Base-Base interactions energy: -113.744
where: short stacking energy: -55.093
Base-Backbone interact. energy: -0.000
local terms energy: -62.512999
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -5.664
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -16.120
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: 148
Temperature: 1.250000
Total energy: -97.212881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.212881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.212881 (E_RNA)
where:
Base-Base interactions energy: -47.930
where: short stacking energy: -31.056
Base-Backbone interact. energy: -0.096
local terms energy: -49.186620
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -4.480
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -80.090072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.090072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.090072 (E_RNA)
where:
Base-Base interactions energy: -37.298
where: short stacking energy: -27.514
Base-Backbone interact. energy: 1.942
local terms energy: -44.733491
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -3.291
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: 148
Temperature: 1.350000
Total energy: -91.633372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.633372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.633372 (E_RNA)
where:
Base-Base interactions energy: -45.891
where: short stacking energy: -27.794
Base-Backbone interact. energy: 0.613
local terms energy: -46.354541
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: 0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -229.708956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.708956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.708956 (E_RNA)
where:
Base-Base interactions energy: -149.536
where: short stacking energy: -73.433
Base-Backbone interact. energy: -0.001
local terms energy: -80.171438
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -23.120
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: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -198.842865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.842865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.842865 (E_RNA)
where:
Base-Base interactions energy: -127.379
where: short stacking energy: -61.314
Base-Backbone interact. energy: -0.112
local terms energy: -71.352561
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -8.823
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: 3, replica: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -199.664729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.664729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.664729 (E_RNA)
where:
Base-Base interactions energy: -133.431
where: short stacking energy: -59.220
Base-Backbone interact. energy: -0.066
local terms energy: -66.168241
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -189.790601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.790601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.790601 (E_RNA)
where:
Base-Base interactions energy: -128.981
where: short stacking energy: -57.149
Base-Backbone interact. energy: 0.085
local terms energy: -60.893990
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -9.168
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: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -187.005243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.005243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.005243 (E_RNA)
where:
Base-Base interactions energy: -121.095
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.109
local terms energy: -65.800532
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -113.516365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.516365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.516365 (E_RNA)
where:
Base-Base interactions energy: -66.826
where: short stacking energy: -29.173
Base-Backbone interact. energy: 0.980
local terms energy: -47.670219
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -3.696
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: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -174.495664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.495664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.495664 (E_RNA)
where:
Base-Base interactions energy: -108.405
where: short stacking energy: -50.402
Base-Backbone interact. energy: 0.557
local terms energy: -66.647643
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -91.998946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.998946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.998946 (E_RNA)
where:
Base-Base interactions energy: -38.394
where: short stacking energy: -32.328
Base-Backbone interact. energy: 0.821
local terms energy: -54.425213
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -114.844813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.844813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.844813 (E_RNA)
where:
Base-Base interactions energy: -64.871
where: short stacking energy: -37.309
Base-Backbone interact. energy: -0.714
local terms energy: -49.259692
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -113.265650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.265650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.265650 (E_RNA)
where:
Base-Base interactions energy: -62.963
where: short stacking energy: -36.695
Base-Backbone interact. energy: -0.089
local terms energy: -50.214361
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -10.913
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: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -234.251501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.251501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.251501 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -68.782
Base-Backbone interact. energy: -0.763
local terms energy: -80.706318
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -213.442988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.442988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.442988 (E_RNA)
where:
Base-Base interactions energy: -132.910
where: short stacking energy: -70.851
Base-Backbone interact. energy: -0.001
local terms energy: -80.531581
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -195.278388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.278388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.278388 (E_RNA)
where:
Base-Base interactions energy: -130.797
where: short stacking energy: -56.120
Base-Backbone interact. energy: -0.370
local terms energy: -64.111934
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -193.826090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.826090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.826090 (E_RNA)
where:
Base-Base interactions energy: -121.224
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.000
local terms energy: -72.601561
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -191.096890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.096890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.096890 (E_RNA)
where:
Base-Base interactions energy: -120.941
where: short stacking energy: -53.517
Base-Backbone interact. energy: -0.224
local terms energy: -69.931222
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -12.878
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: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -120.098990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.098990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.098990 (E_RNA)
where:
Base-Base interactions energy: -65.136
where: short stacking energy: -44.276
Base-Backbone interact. energy: -1.514
local terms energy: -53.449473
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -8.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -178.402798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.402798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.402798 (E_RNA)
where:
Base-Base interactions energy: -118.171
where: short stacking energy: -55.724
Base-Backbone interact. energy: -0.001
local terms energy: -60.230095
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -89.100496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.100496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.100496 (E_RNA)
where:
Base-Base interactions energy: -41.206
where: short stacking energy: -33.351
Base-Backbone interact. energy: -0.213
local terms energy: -47.680765
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -1.657
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -113.045375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.045375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.045375 (E_RNA)
where:
Base-Base interactions energy: -67.222
where: short stacking energy: -36.122
Base-Backbone interact. energy: 2.462
local terms energy: -48.285177
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -75.025053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.025053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.025053 (E_RNA)
where:
Base-Base interactions energy: -28.410
where: short stacking energy: -28.410
Base-Backbone interact. energy: 1.158
local terms energy: -47.772906
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -5.356
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: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -231.049509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.049509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.049509 (E_RNA)
where:
Base-Base interactions energy: -152.194
where: short stacking energy: -74.104
Base-Backbone interact. energy: -0.010
local terms energy: -78.845644
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -22.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -205.539743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.539743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.539743 (E_RNA)
where:
Base-Base interactions energy: -129.265
where: short stacking energy: -68.881
Base-Backbone interact. energy: -0.001
local terms energy: -76.273844
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -18.628
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: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -201.471943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.471943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.471943 (E_RNA)
where:
Base-Base interactions energy: -149.548
where: short stacking energy: -53.364
Base-Backbone interact. energy: -0.628
local terms energy: -51.295550
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -1.843
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: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -191.693848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.693848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.693848 (E_RNA)
where:
Base-Base interactions energy: -120.933
where: short stacking energy: -59.245
Base-Backbone interact. energy: -0.356
local terms energy: -70.404752
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -186.337653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.337653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.337653 (E_RNA)
where:
Base-Base interactions energy: -113.616
where: short stacking energy: -58.324
Base-Backbone interact. energy: -0.228
local terms energy: -72.494134
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -15.545
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: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -192.557638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.557638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.557638 (E_RNA)
where:
Base-Base interactions energy: -127.034
where: short stacking energy: -57.081
Base-Backbone interact. energy: -0.175
local terms energy: -65.347872
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -104.970210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.970210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.970210 (E_RNA)
where:
Base-Base interactions energy: -62.905
where: short stacking energy: -32.976
Base-Backbone interact. energy: 0.521
local terms energy: -42.586223
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: 1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -95.118770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.118770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.118770 (E_RNA)
where:
Base-Base interactions energy: -52.771
where: short stacking energy: -34.757
Base-Backbone interact. energy: -0.084
local terms energy: -42.264157
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -2.230
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: 151
Temperature: 1.300000
Total energy: -76.137845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.137845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.137845 (E_RNA)
where:
Base-Base interactions energy: -26.176
where: short stacking energy: -24.037
Base-Backbone interact. energy: -2.529
local terms energy: -47.432932
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: 1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -80.420471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.420471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.420471 (E_RNA)
where:
Base-Base interactions energy: -32.142
where: short stacking energy: -32.142
Base-Backbone interact. energy: -0.268
local terms energy: -48.010063
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -3.741
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: 152
Temperature: 0.900000
Total energy: -229.046918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.046918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.046918 (E_RNA)
where:
Base-Base interactions energy: -150.451
where: short stacking energy: -73.358
Base-Backbone interact. energy: -0.006
local terms energy: -78.589805
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -205.515769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.515769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.515769 (E_RNA)
where:
Base-Base interactions energy: -132.317
where: short stacking energy: -72.659
Base-Backbone interact. energy: -0.440
local terms energy: -72.758091
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -211.423926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.423926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.423926 (E_RNA)
where:
Base-Base interactions energy: -134.067
where: short stacking energy: -67.134
Base-Backbone interact. energy: -0.007
local terms energy: -77.349438
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -11.416
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: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -177.536544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.536544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.536544 (E_RNA)
where:
Base-Base interactions energy: -103.896
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.006
local terms energy: -73.634178
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -194.460182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.460182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.460182 (E_RNA)
where:
Base-Base interactions energy: -131.816
where: short stacking energy: -56.548
Base-Backbone interact. energy: 0.176
local terms energy: -62.820809
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -172.463199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.463199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.463199 (E_RNA)
where:
Base-Base interactions energy: -111.329
where: short stacking energy: -47.144
Base-Backbone interact. energy: -0.256
local terms energy: -60.878149
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -86.927665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.927665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.927665 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.034
local terms energy: -52.585053
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -1.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -85.031990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.031990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.031990 (E_RNA)
where:
Base-Base interactions energy: -32.531
where: short stacking energy: -24.128
Base-Backbone interact. energy: -0.154
local terms energy: -52.346883
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -6.864
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -81.626302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.626302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.626302 (E_RNA)
where:
Base-Base interactions energy: -27.181
where: short stacking energy: -27.181
Base-Backbone interact. energy: -0.036
local terms energy: -54.408958
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -5.980
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: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -75.244094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.244094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.244094 (E_RNA)
where:
Base-Base interactions energy: -23.583
where: short stacking energy: -22.803
Base-Backbone interact. energy: -0.105
local terms energy: -51.555967
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -229.864411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.864411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.864411 (E_RNA)
where:
Base-Base interactions energy: -151.656
where: short stacking energy: -70.983
Base-Backbone interact. energy: -0.004
local terms energy: -78.204296
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -21.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -225.490744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.490744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.490744 (E_RNA)
where:
Base-Base interactions energy: -153.821
where: short stacking energy: -71.769
Base-Backbone interact. energy: -0.485
local terms energy: -71.184572
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -203.531538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.531538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.531538 (E_RNA)
where:
Base-Base interactions energy: -132.773
where: short stacking energy: -72.323
Base-Backbone interact. energy: -0.010
local terms energy: -70.748114
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -199.419445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.419445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.419445 (E_RNA)
where:
Base-Base interactions energy: -127.240
where: short stacking energy: -57.918
Base-Backbone interact. energy: -0.625
local terms energy: -71.554243
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -185.746306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.746306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.746306 (E_RNA)
where:
Base-Base interactions energy: -114.165
where: short stacking energy: -57.206
Base-Backbone interact. energy: -0.047
local terms energy: -71.534174
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -15.927
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: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -178.399890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.399890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.399890 (E_RNA)
where:
Base-Base interactions energy: -113.812
where: short stacking energy: -57.255
Base-Backbone interact. energy: -0.006
local terms energy: -64.581870
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -8.465
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -93.178954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.178954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.178954 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -35.261
Base-Backbone interact. energy: -0.116
local terms energy: -54.915854
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -82.198631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.198631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.198631 (E_RNA)
where:
Base-Base interactions energy: -32.791
where: short stacking energy: -27.701
Base-Backbone interact. energy: -0.143
local terms energy: -49.264131
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -10.804
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -7.706
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: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -82.719960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.719960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.719960 (E_RNA)
where:
Base-Base interactions energy: -30.604
where: short stacking energy: -26.218
Base-Backbone interact. energy: -0.005
local terms energy: -52.110800
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -76.205482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.205482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.205482 (E_RNA)
where:
Base-Base interactions energy: -25.673
where: short stacking energy: -25.673
Base-Backbone interact. energy: -0.321
local terms energy: -50.210718
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -226.903263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.903263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.903263 (E_RNA)
where:
Base-Base interactions energy: -146.250
where: short stacking energy: -71.720
Base-Backbone interact. energy: -0.018
local terms energy: -80.634726
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -224.274783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.274783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.274783 (E_RNA)
where:
Base-Base interactions energy: -149.283
where: short stacking energy: -72.620
Base-Backbone interact. energy: -0.468
local terms energy: -74.524202
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -188.673833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.673833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.673833 (E_RNA)
where:
Base-Base interactions energy: -122.545
where: short stacking energy: -66.866
Base-Backbone interact. energy: -0.017
local terms energy: -66.111316
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -9.711
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -191.121734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.121734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.121734 (E_RNA)
where:
Base-Base interactions energy: -121.495
where: short stacking energy: -57.638
Base-Backbone interact. energy: -0.003
local terms energy: -69.623525
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -172.451755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.451755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.451755 (E_RNA)
where:
Base-Base interactions energy: -110.434
where: short stacking energy: -53.802
Base-Backbone interact. energy: -0.159
local terms energy: -61.858689
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -11.325
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: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -180.553342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.553342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.553342 (E_RNA)
where:
Base-Base interactions energy: -121.602
where: short stacking energy: -55.449
Base-Backbone interact. energy: -0.158
local terms energy: -58.793409
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -6.758
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -13.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -92.431805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.431805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.431805 (E_RNA)
where:
Base-Base interactions energy: -35.542
where: short stacking energy: -27.691
Base-Backbone interact. energy: -0.403
local terms energy: -56.486878
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -97.612470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.612470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.612470 (E_RNA)
where:
Base-Base interactions energy: -41.569
where: short stacking energy: -40.706
Base-Backbone interact. energy: -0.046
local terms energy: -55.997269
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -98.216199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.216199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.216199 (E_RNA)
where:
Base-Base interactions energy: -47.963
where: short stacking energy: -26.909
Base-Backbone interact. energy: -1.010
local terms energy: -49.242896
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -3.338
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: 154
Temperature: 1.350000
Total energy: -114.816000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.816000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.816000 (E_RNA)
where:
Base-Base interactions energy: -60.770
where: short stacking energy: -33.985
Base-Backbone interact. energy: -0.047
local terms energy: -53.998050
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -227.967134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.967134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.967134 (E_RNA)
where:
Base-Base interactions energy: -148.737
where: short stacking energy: -71.960
Base-Backbone interact. energy: -0.002
local terms energy: -79.228305
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -229.676183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.676183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.676183 (E_RNA)
where:
Base-Base interactions energy: -154.991
where: short stacking energy: -73.174
Base-Backbone interact. energy: -0.015
local terms energy: -74.670581
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -200.993505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.993505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.993505 (E_RNA)
where:
Base-Base interactions energy: -131.356
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.103
local terms energy: -69.534650
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -188.795754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.795754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.795754 (E_RNA)
where:
Base-Base interactions energy: -123.617
where: short stacking energy: -64.597
Base-Backbone interact. energy: -0.173
local terms energy: -65.005002
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -19.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -177.231051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.231051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.231051 (E_RNA)
where:
Base-Base interactions energy: -115.792
where: short stacking energy: -59.114
Base-Backbone interact. energy: -0.183
local terms energy: -61.256283
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -9.389
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: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -160.065629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.065629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.065629 (E_RNA)
where:
Base-Base interactions energy: -97.527
where: short stacking energy: -45.956
Base-Backbone interact. energy: -0.109
local terms energy: -62.429266
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -13.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -97.014337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.014337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.014337 (E_RNA)
where:
Base-Base interactions energy: -42.633
where: short stacking energy: -42.633
Base-Backbone interact. energy: -0.009
local terms energy: -54.372424
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -91.779667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.779667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.779667 (E_RNA)
where:
Base-Base interactions energy: -40.781
where: short stacking energy: -41.230
Base-Backbone interact. energy: -0.185
local terms energy: -50.813719
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -5.164
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -9.117
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: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -85.499245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.499245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.499245 (E_RNA)
where:
Base-Base interactions energy: -43.108
where: short stacking energy: -36.352
Base-Backbone interact. energy: -0.128
local terms energy: -42.262936
where:
bonds (distance) C4'-P energy: -4.267
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -8.063
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: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -135.832035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.832035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.832035 (E_RNA)
where:
Base-Base interactions energy: -75.953
where: short stacking energy: -38.529
Base-Backbone interact. energy: -0.882
local terms energy: -58.997547
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -9.116
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: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -233.220788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.220788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.220788 (E_RNA)
where:
Base-Base interactions energy: -156.767
where: short stacking energy: -70.828
Base-Backbone interact. energy: 0.470
local terms energy: -76.923656
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -227.966230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.966230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.966230 (E_RNA)
where:
Base-Base interactions energy: -148.814
where: short stacking energy: -67.636
Base-Backbone interact. energy: -0.003
local terms energy: -79.149363
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -191.112059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.112059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.112059 (E_RNA)
where:
Base-Base interactions energy: -118.405
where: short stacking energy: -64.561
Base-Backbone interact. energy: -0.070
local terms energy: -72.636841
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -196.520155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.520155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.520155 (E_RNA)
where:
Base-Base interactions energy: -126.486
where: short stacking energy: -58.913
Base-Backbone interact. energy: 2.832
local terms energy: -72.865688
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -179.121578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.121578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.121578 (E_RNA)
where:
Base-Base interactions energy: -110.350
where: short stacking energy: -51.522
Base-Backbone interact. energy: -0.531
local terms energy: -68.240129
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -181.508508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.508508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.508508 (E_RNA)
where:
Base-Base interactions energy: -114.292
where: short stacking energy: -51.519
Base-Backbone interact. energy: -0.038
local terms energy: -67.179148
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -99.372829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.372829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.372829 (E_RNA)
where:
Base-Base interactions energy: -42.989
where: short stacking energy: -34.018
Base-Backbone interact. energy: 0.131
local terms energy: -56.514763
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -4.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -81.215240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.215240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.215240 (E_RNA)
where:
Base-Base interactions energy: -30.790
where: short stacking energy: -27.060
Base-Backbone interact. energy: -0.118
local terms energy: -50.307278
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -96.123995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.123995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.123995 (E_RNA)
where:
Base-Base interactions energy: -38.802
where: short stacking energy: -35.474
Base-Backbone interact. energy: -0.571
local terms energy: -56.750934
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -6.639
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: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -74.350900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.350900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.350900 (E_RNA)
where:
Base-Base interactions energy: -22.689
where: short stacking energy: -22.689
Base-Backbone interact. energy: -0.256
local terms energy: -51.405803
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -227.282660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.282660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.282660 (E_RNA)
where:
Base-Base interactions energy: -151.218
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.000
local terms energy: -76.064915
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.947
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: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -232.470890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.470890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.470890 (E_RNA)
where:
Base-Base interactions energy: -157.156
where: short stacking energy: -80.000
Base-Backbone interact. energy: -0.172
local terms energy: -75.143003
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -199.625733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.625733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.625733 (E_RNA)
where:
Base-Base interactions energy: -125.263
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.146
local terms energy: -74.217132
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -185.512852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.512852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.512852 (E_RNA)
where:
Base-Base interactions energy: -116.589
where: short stacking energy: -51.354
Base-Backbone interact. energy: -1.173
local terms energy: -67.750965
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -10.494
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: 5, replica: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -184.004309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.004309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.004309 (E_RNA)
where:
Base-Base interactions energy: -114.873
where: short stacking energy: -61.127
Base-Backbone interact. energy: -0.006
local terms energy: -69.125184
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -17.041
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: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -184.327797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.327797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.327797 (E_RNA)
where:
Base-Base interactions energy: -123.625
where: short stacking energy: -50.781
Base-Backbone interact. energy: -0.144
local terms energy: -60.558816
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -86.801105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.801105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.801105 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -27.184
Base-Backbone interact. energy: -0.302
local terms energy: -53.662145
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -5.236
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: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -87.467774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.467774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.467774 (E_RNA)
where:
Base-Base interactions energy: -34.932
where: short stacking energy: -29.224
Base-Backbone interact. energy: -0.307
local terms energy: -52.228492
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -80.472742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.472742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.472742 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -26.648
Base-Backbone interact. energy: -0.046
local terms energy: -50.549765
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -81.127664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.127664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.127664 (E_RNA)
where:
Base-Base interactions energy: -38.672
where: short stacking energy: -28.648
Base-Backbone interact. energy: 0.351
local terms energy: -42.806046
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -8.035
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -224.241378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.241378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.241378 (E_RNA)
where:
Base-Base interactions energy: -149.449
where: short stacking energy: -71.218
Base-Backbone interact. energy: -0.683
local terms energy: -74.110033
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -225.040437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.040437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.040437 (E_RNA)
where:
Base-Base interactions energy: -149.788
where: short stacking energy: -66.204
Base-Backbone interact. energy: -0.096
local terms energy: -75.156680
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -196.586409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.586409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.586409 (E_RNA)
where:
Base-Base interactions energy: -127.151
where: short stacking energy: -67.036
Base-Backbone interact. energy: -0.817
local terms energy: -68.617672
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -7.560
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: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -195.145010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.145010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.145010 (E_RNA)
where:
Base-Base interactions energy: -120.902
where: short stacking energy: -56.753
Base-Backbone interact. energy: -0.084
local terms energy: -74.158782
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -15.263
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: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -190.069328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.069328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.069328 (E_RNA)
where:
Base-Base interactions energy: -119.322
where: short stacking energy: -59.760
Base-Backbone interact. energy: 0.900
local terms energy: -71.647200
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -185.783679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.783679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.783679 (E_RNA)
where:
Base-Base interactions energy: -121.843
where: short stacking energy: -52.350
Base-Backbone interact. energy: 2.193
local terms energy: -66.133426
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -13.267
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: 158
Temperature: 1.200000
Total energy: -108.066862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.066862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.066862 (E_RNA)
where:
Base-Base interactions energy: -57.836
where: short stacking energy: -40.077
Base-Backbone interact. energy: -0.093
local terms energy: -50.137810
where:
bonds (distance) C4'-P energy: -6.500
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -7.194
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: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -95.093027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.093027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.093027 (E_RNA)
where:
Base-Base interactions energy: -41.908
where: short stacking energy: -29.475
Base-Backbone interact. energy: -0.243
local terms energy: -52.941924
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -7.102
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: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -88.524052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.524052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.524052 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.096
local terms energy: -46.051215
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -78.789957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.789957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.789957 (E_RNA)
where:
Base-Base interactions energy: -32.128
where: short stacking energy: -30.604
Base-Backbone interact. energy: -0.090
local terms energy: -46.572204
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -4.422
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: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -225.501797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.501797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.501797 (E_RNA)
where:
Base-Base interactions energy: -151.223
where: short stacking energy: -65.609
Base-Backbone interact. energy: -0.111
local terms energy: -74.167293
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -196.409654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.409654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.409654 (E_RNA)
where:
Base-Base interactions energy: -126.129
where: short stacking energy: -65.800
Base-Backbone interact. energy: 0.363
local terms energy: -70.643435
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -9.088
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -11.686
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: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -218.129441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.129441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.129441 (E_RNA)
where:
Base-Base interactions energy: -142.453
where: short stacking energy: -64.525
Base-Backbone interact. energy: -0.135
local terms energy: -75.541129
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -179.029804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.029804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.029804 (E_RNA)
where:
Base-Base interactions energy: -113.339
where: short stacking energy: -56.032
Base-Backbone interact. energy: -0.006
local terms energy: -65.685103
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -14.221
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: 159
Temperature: 1.100000
Total energy: -177.874973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.874973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.874973 (E_RNA)
where:
Base-Base interactions energy: -124.788
where: short stacking energy: -51.992
Base-Backbone interact. energy: 0.322
local terms energy: -53.409522
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: 0.141
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -176.577327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.577327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.577327 (E_RNA)
where:
Base-Base interactions energy: -108.341
where: short stacking energy: -56.565
Base-Backbone interact. energy: -0.045
local terms energy: -68.191752
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -14.404
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: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -103.836085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.836085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.836085 (E_RNA)
where:
Base-Base interactions energy: -57.073
where: short stacking energy: -35.690
Base-Backbone interact. energy: -0.295
local terms energy: -46.467458
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -86.029428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.029428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.029428 (E_RNA)
where:
Base-Base interactions energy: -34.003
where: short stacking energy: -28.092
Base-Backbone interact. energy: -0.335
local terms energy: -51.691511
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -88.120768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.120768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.120768 (E_RNA)
where:
Base-Base interactions energy: -38.159
where: short stacking energy: -36.074
Base-Backbone interact. energy: 1.167
local terms energy: -51.129257
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -75.071470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.071470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.071470 (E_RNA)
where:
Base-Base interactions energy: -35.847
where: short stacking energy: -35.490
Base-Backbone interact. energy: -0.953
local terms energy: -38.270989
where:
bonds (distance) C4'-P energy: -6.319
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -4.569
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -231.459634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.459634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.459634 (E_RNA)
where:
Base-Base interactions energy: -149.572
where: short stacking energy: -69.143
Base-Backbone interact. energy: -0.052
local terms energy: -81.835347
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -23.661
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: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -201.987532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.987532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.987532 (E_RNA)
where:
Base-Base interactions energy: -137.502
where: short stacking energy: -53.967
Base-Backbone interact. energy: -0.531
local terms energy: -63.954719
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -12.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -219.141683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.141683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.141683 (E_RNA)
where:
Base-Base interactions energy: -154.248
where: short stacking energy: -64.919
Base-Backbone interact. energy: -0.380
local terms energy: -64.513550
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -221.107970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.107970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.107970 (E_RNA)
where:
Base-Base interactions energy: -151.657
where: short stacking energy: -72.011
Base-Backbone interact. energy: -0.011
local terms energy: -69.439429
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -19.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -186.173486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.173486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.173486 (E_RNA)
where:
Base-Base interactions energy: -115.387
where: short stacking energy: -54.161
Base-Backbone interact. energy: -0.022
local terms energy: -70.764210
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -183.204579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.204579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.204579 (E_RNA)
where:
Base-Base interactions energy: -112.053
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.650
local terms energy: -70.501455
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -11.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -85.924692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.924692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.924692 (E_RNA)
where:
Base-Base interactions energy: -41.755
where: short stacking energy: -22.379
Base-Backbone interact. energy: 1.974
local terms energy: -46.142929
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -8.108
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: 0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -87.910287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.910287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.910287 (E_RNA)
where:
Base-Base interactions energy: -36.748
where: short stacking energy: -34.592
Base-Backbone interact. energy: -0.304
local terms energy: -50.857888
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -9.530
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: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -94.810819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.810819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.810819 (E_RNA)
where:
Base-Base interactions energy: -52.929
where: short stacking energy: -28.769
Base-Backbone interact. energy: -0.220
local terms energy: -41.661715
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: 0.878
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: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -77.866753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.866753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.866753 (E_RNA)
where:
Base-Base interactions energy: -23.804
where: short stacking energy: -23.478
Base-Backbone interact. energy: -0.065
local terms energy: -53.998620
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -1.608
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: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -226.156841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.156841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.156841 (E_RNA)
where:
Base-Base interactions energy: -157.306
where: short stacking energy: -68.174
Base-Backbone interact. energy: -0.005
local terms energy: -68.846330
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -222.495001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.495001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.495001 (E_RNA)
where:
Base-Base interactions energy: -149.624
where: short stacking energy: -64.718
Base-Backbone interact. energy: -0.373
local terms energy: -72.498130
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -211.063888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.063888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.063888 (E_RNA)
where:
Base-Base interactions energy: -139.088
where: short stacking energy: -73.921
Base-Backbone interact. energy: 1.270
local terms energy: -73.245587
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -205.357797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.357797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.357797 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -67.122
Base-Backbone interact. energy: -0.036
local terms energy: -70.894870
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -15.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -214.569147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.569147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.569147 (E_RNA)
where:
Base-Base interactions energy: -141.859
where: short stacking energy: -79.585
Base-Backbone interact. energy: -0.003
local terms energy: -72.707852
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -9.086
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: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -179.586925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.586925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.586925 (E_RNA)
where:
Base-Base interactions energy: -111.608
where: short stacking energy: -53.268
Base-Backbone interact. energy: -0.178
local terms energy: -67.801362
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -93.518718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.518718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.518718 (E_RNA)
where:
Base-Base interactions energy: -37.498
where: short stacking energy: -35.531
Base-Backbone interact. energy: -0.023
local terms energy: -55.998529
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -4.542
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: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -86.142686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.142686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.142686 (E_RNA)
where:
Base-Base interactions energy: -39.976
where: short stacking energy: -23.905
Base-Backbone interact. energy: 0.876
local terms energy: -47.042496
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -6.879
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -85.090367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.090367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.090367 (E_RNA)
where:
Base-Base interactions energy: -38.995
where: short stacking energy: -31.342
Base-Backbone interact. energy: -0.034
local terms energy: -46.061331
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -4.530
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: 161
Temperature: 1.350000
Total energy: -90.606043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.606043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.606043 (E_RNA)
where:
Base-Base interactions energy: -41.889
where: short stacking energy: -27.248
Base-Backbone interact. energy: -0.058
local terms energy: -48.659413
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -5.171
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: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -236.672873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.672873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.672873 (E_RNA)
where:
Base-Base interactions energy: -159.805
where: short stacking energy: -78.492
Base-Backbone interact. energy: -0.005
local terms energy: -76.863221
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -227.145097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.145097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.145097 (E_RNA)
where:
Base-Base interactions energy: -152.814
where: short stacking energy: -70.334
Base-Backbone interact. energy: -0.476
local terms energy: -73.855208
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -192.786482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.786482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.786482 (E_RNA)
where:
Base-Base interactions energy: -125.663
where: short stacking energy: -64.115
Base-Backbone interact. energy: -0.051
local terms energy: -67.072022
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -193.702156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.702156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.702156 (E_RNA)
where:
Base-Base interactions energy: -126.589
where: short stacking energy: -66.718
Base-Backbone interact. energy: -0.343
local terms energy: -66.770007
where:
bonds (distance) C4'-P energy: -6.526
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -19.687
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: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -201.102178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.102178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.102178 (E_RNA)
where:
Base-Base interactions energy: -126.041
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.063
local terms energy: -74.998301
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -9.161
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: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -182.796171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.796171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.796171 (E_RNA)
where:
Base-Base interactions energy: -120.318
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.043
local terms energy: -62.434379
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -2.780
tors. eta vs tors. theta energy: -16.834
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: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -87.116068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.116068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.116068 (E_RNA)
where:
Base-Base interactions energy: -41.922
where: short stacking energy: -27.482
Base-Backbone interact. energy: -0.190
local terms energy: -45.004371
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -0.050
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -111.784960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.784960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.784960 (E_RNA)
where:
Base-Base interactions energy: -58.534
where: short stacking energy: -35.695
Base-Backbone interact. energy: -0.502
local terms energy: -52.748243
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -4.366
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: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -92.836823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.836823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.836823 (E_RNA)
where:
Base-Base interactions energy: -39.020
where: short stacking energy: -22.004
Base-Backbone interact. energy: -0.024
local terms energy: -53.792201
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -82.910246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.910246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.910246 (E_RNA)
where:
Base-Base interactions energy: -37.135
where: short stacking energy: -14.449
Base-Backbone interact. energy: -0.202
local terms energy: -45.573481
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: 4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -236.599404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.599404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.599404 (E_RNA)
where:
Base-Base interactions energy: -160.969
where: short stacking energy: -78.391
Base-Backbone interact. energy: -0.001
local terms energy: -75.629148
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -21.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -211.911907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.911907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.911907 (E_RNA)
where:
Base-Base interactions energy: -138.548
where: short stacking energy: -58.424
Base-Backbone interact. energy: -0.620
local terms energy: -72.743893
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -17.328
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: 163
Temperature: 1.000000
Total energy: -202.664875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.664875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.664875 (E_RNA)
where:
Base-Base interactions energy: -142.867
where: short stacking energy: -47.174
Base-Backbone interact. energy: -0.069
local terms energy: -59.728682
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -214.210558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.210558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.210558 (E_RNA)
where:
Base-Base interactions energy: -139.600
where: short stacking energy: -69.435
Base-Backbone interact. energy: -0.054
local terms energy: -74.556234
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -192.069713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.069713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.069713 (E_RNA)
where:
Base-Base interactions energy: -124.353
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.007
local terms energy: -67.709485
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -20.716
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: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -178.779760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.779760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.779760 (E_RNA)
where:
Base-Base interactions energy: -119.708
where: short stacking energy: -49.459
Base-Backbone interact. energy: -0.611
local terms energy: -58.461490
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -9.518
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: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -92.370753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.370753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.370753 (E_RNA)
where:
Base-Base interactions energy: -38.876
where: short stacking energy: -38.366
Base-Backbone interact. energy: -0.255
local terms energy: -53.239717
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -81.358850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.358850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.358850 (E_RNA)
where:
Base-Base interactions energy: -34.827
where: short stacking energy: -30.601
Base-Backbone interact. energy: 0.894
local terms energy: -47.426207
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -90.113220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.113220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.113220 (E_RNA)
where:
Base-Base interactions energy: -39.244
where: short stacking energy: -12.752
Base-Backbone interact. energy: -0.416
local terms energy: -50.453753
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -89.208702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.208702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.208702 (E_RNA)
where:
Base-Base interactions energy: -36.817
where: short stacking energy: -36.817
Base-Backbone interact. energy: 1.653
local terms energy: -54.044667
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -233.393080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.393080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.393080 (E_RNA)
where:
Base-Base interactions energy: -155.688
where: short stacking energy: -70.582
Base-Backbone interact. energy: -0.281
local terms energy: -77.423478
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -209.655297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.655297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.655297 (E_RNA)
where:
Base-Base interactions energy: -138.147
where: short stacking energy: -62.091
Base-Backbone interact. energy: -0.401
local terms energy: -71.107487
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -221.878054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.878054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.878054 (E_RNA)
where:
Base-Base interactions energy: -145.941
where: short stacking energy: -70.443
Base-Backbone interact. energy: -0.017
local terms energy: -75.919883
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -186.578368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.578368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.578368 (E_RNA)
where:
Base-Base interactions energy: -120.396
where: short stacking energy: -55.674
Base-Backbone interact. energy: -0.051
local terms energy: -66.130588
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -202.126588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.126588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.126588 (E_RNA)
where:
Base-Base interactions energy: -143.426
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.256
local terms energy: -58.444452
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -180.404852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.404852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.404852 (E_RNA)
where:
Base-Base interactions energy: -120.812
where: short stacking energy: -58.149
Base-Backbone interact. energy: -0.090
local terms energy: -59.503036
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -131.270871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.270871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.270871 (E_RNA)
where:
Base-Base interactions energy: -82.999
where: short stacking energy: -38.014
Base-Backbone interact. energy: -0.163
local terms energy: -48.109039
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -3.996
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: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -83.065145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.065145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.065145 (E_RNA)
where:
Base-Base interactions energy: -31.083
where: short stacking energy: -31.083
Base-Backbone interact. energy: -0.005
local terms energy: -51.977716
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -2.869
tors. eta vs tors. theta energy: -6.148
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: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -81.936489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.936489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.936489 (E_RNA)
where:
Base-Base interactions energy: -38.976
where: short stacking energy: -29.760
Base-Backbone interact. energy: 0.303
local terms energy: -43.262785
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -3.523
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -95.865544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.865544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.865544 (E_RNA)
where:
Base-Base interactions energy: -39.207
where: short stacking energy: -36.793
Base-Backbone interact. energy: -0.007
local terms energy: -56.652060
where:
bonds (distance) C4'-P energy: -7.810
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -11.279
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: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -237.490377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.490377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.490377 (E_RNA)
where:
Base-Base interactions energy: -154.274
where: short stacking energy: -78.331
Base-Backbone interact. energy: -0.003
local terms energy: -83.213357
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -229.866842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.866842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.866842 (E_RNA)
where:
Base-Base interactions energy: -146.910
where: short stacking energy: -72.767
Base-Backbone interact. energy: -0.104
local terms energy: -82.852950
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -10.205
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: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -192.685909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.685909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.685909 (E_RNA)
where:
Base-Base interactions energy: -127.702
where: short stacking energy: -57.002
Base-Backbone interact. energy: -0.663
local terms energy: -64.321214
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -14.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -218.473069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.473069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.473069 (E_RNA)
where:
Base-Base interactions energy: -144.023
where: short stacking energy: -56.696
Base-Backbone interact. energy: -3.580
local terms energy: -70.870190
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -11.029
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: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -185.303242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.303242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.303242 (E_RNA)
where:
Base-Base interactions energy: -117.537
where: short stacking energy: -54.578
Base-Backbone interact. energy: -0.658
local terms energy: -67.108032
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -175.499870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.499870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.499870 (E_RNA)
where:
Base-Base interactions energy: -121.512
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.274
local terms energy: -53.713680
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -10.844
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: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -137.838150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.838150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.838150 (E_RNA)
where:
Base-Base interactions energy: -77.792
where: short stacking energy: -35.257
Base-Backbone interact. energy: -0.424
local terms energy: -59.622175
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -88.452928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.452928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.452928 (E_RNA)
where:
Base-Base interactions energy: -43.372
where: short stacking energy: -18.309
Base-Backbone interact. energy: -0.218
local terms energy: -44.862639
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -5.933
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: 4
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -78.113119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.113119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.113119 (E_RNA)
where:
Base-Base interactions energy: -36.935
where: short stacking energy: -34.384
Base-Backbone interact. energy: -0.008
local terms energy: -41.169640
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -3.063
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: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -78.009675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.009675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.009675 (E_RNA)
where:
Base-Base interactions energy: -36.878
where: short stacking energy: -31.340
Base-Backbone interact. energy: -0.014
local terms energy: -41.117660
where:
bonds (distance) C4'-P energy: -4.829
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -2.217
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -231.878388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.878388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.878388 (E_RNA)
where:
Base-Base interactions energy: -152.831
where: short stacking energy: -72.474
Base-Backbone interact. energy: -0.046
local terms energy: -79.001415
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -226.536784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.536784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.536784 (E_RNA)
where:
Base-Base interactions energy: -145.976
where: short stacking energy: -73.813
Base-Backbone interact. energy: -0.522
local terms energy: -80.038922
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -188.791182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.791182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.791182 (E_RNA)
where:
Base-Base interactions energy: -122.226
where: short stacking energy: -56.069
Base-Backbone interact. energy: 0.254
local terms energy: -66.819299
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -193.989584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.989584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.989584 (E_RNA)
where:
Base-Base interactions energy: -125.905
where: short stacking energy: -54.263
Base-Backbone interact. energy: -0.074
local terms energy: -68.010909
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -187.864151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.864151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.864151 (E_RNA)
where:
Base-Base interactions energy: -122.244
where: short stacking energy: -58.491
Base-Backbone interact. energy: -0.337
local terms energy: -65.283580
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -6.182
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: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -179.251119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.251119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.251119 (E_RNA)
where:
Base-Base interactions energy: -121.706
where: short stacking energy: -59.384
Base-Backbone interact. energy: -0.206
local terms energy: -57.339924
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -106.663228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.663228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.663228 (E_RNA)
where:
Base-Base interactions energy: -48.920
where: short stacking energy: -38.885
Base-Backbone interact. energy: -0.680
local terms energy: -57.062854
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -130.949303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.949303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.949303 (E_RNA)
where:
Base-Base interactions energy: -77.480
where: short stacking energy: -42.613
Base-Backbone interact. energy: -0.667
local terms energy: -52.802247
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -8.975
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: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -88.263702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.263702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.263702 (E_RNA)
where:
Base-Base interactions energy: -38.592
where: short stacking energy: -33.130
Base-Backbone interact. energy: 1.913
local terms energy: -51.584526
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -86.328664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.328664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.328664 (E_RNA)
where:
Base-Base interactions energy: -40.288
where: short stacking energy: -33.098
Base-Backbone interact. energy: -0.016
local terms energy: -46.025050
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -7.024
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: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -221.779897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.779897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.779897 (E_RNA)
where:
Base-Base interactions energy: -147.648
where: short stacking energy: -65.534
Base-Backbone interact. energy: -0.008
local terms energy: -74.123687
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -21.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -215.759456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.759456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.759456 (E_RNA)
where:
Base-Base interactions energy: -132.470
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.383
local terms energy: -82.906606
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -180.520745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.520745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.520745 (E_RNA)
where:
Base-Base interactions energy: -114.818
where: short stacking energy: -50.752
Base-Backbone interact. energy: -0.050
local terms energy: -65.653358
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -190.686056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.686056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.686056 (E_RNA)
where:
Base-Base interactions energy: -122.626
where: short stacking energy: -64.340
Base-Backbone interact. energy: -0.005
local terms energy: -68.055094
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -182.020031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.020031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.020031 (E_RNA)
where:
Base-Base interactions energy: -123.500
where: short stacking energy: -51.160
Base-Backbone interact. energy: -0.780
local terms energy: -57.740009
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -166.186719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.186719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.186719 (E_RNA)
where:
Base-Base interactions energy: -114.771
where: short stacking energy: -43.811
Base-Backbone interact. energy: 0.294
local terms energy: -51.709837
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -95.298793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.298793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.298793 (E_RNA)
where:
Base-Base interactions energy: -45.554
where: short stacking energy: -26.193
Base-Backbone interact. energy: -0.557
local terms energy: -49.187246
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -134.499004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.499004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.499004 (E_RNA)
where:
Base-Base interactions energy: -77.855
where: short stacking energy: -40.041
Base-Backbone interact. energy: -0.008
local terms energy: -56.635928
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -95.584476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.584476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.584476 (E_RNA)
where:
Base-Base interactions energy: -40.864
where: short stacking energy: -26.132
Base-Backbone interact. energy: -0.495
local terms energy: -54.224938
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -5.349
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: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -79.902911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.902911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.902911 (E_RNA)
where:
Base-Base interactions energy: -33.654
where: short stacking energy: -33.654
Base-Backbone interact. energy: -0.211
local terms energy: -46.037784
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -5.545
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -228.470429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.470429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.470429 (E_RNA)
where:
Base-Base interactions energy: -144.079
where: short stacking energy: -72.094
Base-Backbone interact. energy: -0.846
local terms energy: -83.544770
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -9.719
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: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -222.967555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.967555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.967555 (E_RNA)
where:
Base-Base interactions energy: -147.341
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.049
local terms energy: -75.577239
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.383
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: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -190.456593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.456593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.456593 (E_RNA)
where:
Base-Base interactions energy: -120.105
where: short stacking energy: -48.818
Base-Backbone interact. energy: -0.074
local terms energy: -70.277057
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -13.483
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: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -197.097746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.097746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.097746 (E_RNA)
where:
Base-Base interactions energy: -137.735
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.007
local terms energy: -59.356286
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -181.944296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.944296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.944296 (E_RNA)
where:
Base-Base interactions energy: -112.418
where: short stacking energy: -58.694
Base-Backbone interact. energy: -0.147
local terms energy: -69.379387
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -194.623383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.623383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.623383 (E_RNA)
where:
Base-Base interactions energy: -134.372
where: short stacking energy: -57.201
Base-Backbone interact. energy: -0.180
local terms energy: -60.071491
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -135.455815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.455815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.455815 (E_RNA)
where:
Base-Base interactions energy: -79.566
where: short stacking energy: -34.017
Base-Backbone interact. energy: 0.170
local terms energy: -56.059942
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -88.591434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.591434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.591434 (E_RNA)
where:
Base-Base interactions energy: -28.559
where: short stacking energy: -28.195
Base-Backbone interact. energy: -0.132
local terms energy: -59.900438
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -5.197
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: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -78.564028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564028 (E_RNA)
where:
Base-Base interactions energy: -31.068
where: short stacking energy: -30.340
Base-Backbone interact. energy: 0.245
local terms energy: -47.741127
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -1.278
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -98.281085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.281085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.281085 (E_RNA)
where:
Base-Base interactions energy: -51.916
where: short stacking energy: -29.636
Base-Backbone interact. energy: -0.720
local terms energy: -45.644891
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -237.074556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.074556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.074556 (E_RNA)
where:
Base-Base interactions energy: -159.241
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.005
local terms energy: -77.829392
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -224.539943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.539943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.539943 (E_RNA)
where:
Base-Base interactions energy: -148.079
where: short stacking energy: -72.855
Base-Backbone interact. energy: 0.468
local terms energy: -76.928487
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -20.078
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: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -192.580125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.580125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.580125 (E_RNA)
where:
Base-Base interactions energy: -132.186
where: short stacking energy: -59.421
Base-Backbone interact. energy: -0.075
local terms energy: -60.318873
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -15.341
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: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -200.636992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.636992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.636992 (E_RNA)
where:
Base-Base interactions energy: -129.463
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.052
local terms energy: -71.122279
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.333
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: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -187.735280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.735280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.735280 (E_RNA)
where:
Base-Base interactions energy: -124.590
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.014
local terms energy: -63.131424
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -178.280142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.280142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.280142 (E_RNA)
where:
Base-Base interactions energy: -118.880
where: short stacking energy: -56.893
Base-Backbone interact. energy: 1.101
local terms energy: -60.501424
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -10.645
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: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -140.991317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.991317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.991317 (E_RNA)
where:
Base-Base interactions energy: -84.102
where: short stacking energy: -51.863
Base-Backbone interact. energy: -0.084
local terms energy: -56.805841
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -7.131
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: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -100.062444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.062444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.062444 (E_RNA)
where:
Base-Base interactions energy: -39.105
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.588
local terms energy: -60.369869
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -6.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -81.226976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.226976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.226976 (E_RNA)
where:
Base-Base interactions energy: -25.665
where: short stacking energy: -23.315
Base-Backbone interact. energy: -0.151
local terms energy: -55.411621
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -71.662612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.662612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.662612 (E_RNA)
where:
Base-Base interactions energy: -24.082
where: short stacking energy: -24.082
Base-Backbone interact. energy: -0.158
local terms energy: -47.422323
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: 0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -228.448484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.448484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.448484 (E_RNA)
where:
Base-Base interactions energy: -154.680
where: short stacking energy: -68.468
Base-Backbone interact. energy: -0.280
local terms energy: -73.489242
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -22.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -223.847706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.847706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.847706 (E_RNA)
where:
Base-Base interactions energy: -153.633
where: short stacking energy: -65.953
Base-Backbone interact. energy: -0.043
local terms energy: -70.172162
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -200.811935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.811935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.811935 (E_RNA)
where:
Base-Base interactions energy: -128.942
where: short stacking energy: -70.194
Base-Backbone interact. energy: -0.101
local terms energy: -71.768672
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -191.805702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.805702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.805702 (E_RNA)
where:
Base-Base interactions energy: -124.924
where: short stacking energy: -63.029
Base-Backbone interact. energy: -0.010
local terms energy: -66.871088
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -186.068469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.068469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.068469 (E_RNA)
where:
Base-Base interactions energy: -112.370
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.040
local terms energy: -73.657736
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -179.475487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.475487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.475487 (E_RNA)
where:
Base-Base interactions energy: -118.690
where: short stacking energy: -54.068
Base-Backbone interact. energy: 1.631
local terms energy: -62.415954
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -3.401
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -153.437121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.437121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.437121 (E_RNA)
where:
Base-Base interactions energy: -99.100
where: short stacking energy: -50.527
Base-Backbone interact. energy: -0.450
local terms energy: -53.887829
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -13.681
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: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -84.651111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.651111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.651111 (E_RNA)
where:
Base-Base interactions energy: -29.618
where: short stacking energy: -25.475
Base-Backbone interact. energy: -0.216
local terms energy: -54.817204
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -82.113446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.113446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.113446 (E_RNA)
where:
Base-Base interactions energy: -29.792
where: short stacking energy: -29.792
Base-Backbone interact. energy: 0.196
local terms energy: -52.517433
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -75.905554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.905554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.905554 (E_RNA)
where:
Base-Base interactions energy: -26.016
where: short stacking energy: -21.503
Base-Backbone interact. energy: -0.097
local terms energy: -49.793260
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -234.658292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.658292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.658292 (E_RNA)
where:
Base-Base interactions energy: -153.442
where: short stacking energy: -71.108
Base-Backbone interact. energy: -0.005
local terms energy: -81.210890
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -224.510830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.510830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.510830 (E_RNA)
where:
Base-Base interactions energy: -155.965
where: short stacking energy: -74.640
Base-Backbone interact. energy: -0.004
local terms energy: -68.542246
where:
bonds (distance) C4'-P energy: -7.943
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -202.775831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.775831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.775831 (E_RNA)
where:
Base-Base interactions energy: -123.127
where: short stacking energy: -64.504
Base-Backbone interact. energy: -0.394
local terms energy: -79.254486
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -11.394
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: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -205.025625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.025625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.025625 (E_RNA)
where:
Base-Base interactions energy: -131.936
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.985
local terms energy: -72.103644
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -182.828894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.828894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.828894 (E_RNA)
where:
Base-Base interactions energy: -115.975
where: short stacking energy: -58.516
Base-Backbone interact. energy: 0.131
local terms energy: -66.984931
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -160.781268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.781268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.781268 (E_RNA)
where:
Base-Base interactions energy: -96.480
where: short stacking energy: -48.593
Base-Backbone interact. energy: -0.088
local terms energy: -64.212796
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -174.646930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.646930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.646930 (E_RNA)
where:
Base-Base interactions energy: -109.694
where: short stacking energy: -52.528
Base-Backbone interact. energy: -0.004
local terms energy: -64.948268
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -93.181094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.181094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.181094 (E_RNA)
where:
Base-Base interactions energy: -39.939
where: short stacking energy: -29.734
Base-Backbone interact. energy: -0.135
local terms energy: -53.107157
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -84.177767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.177767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.177767 (E_RNA)
where:
Base-Base interactions energy: -42.559
where: short stacking energy: -42.559
Base-Backbone interact. energy: 0.118
local terms energy: -41.736539
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -8.762
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -82.215544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.215544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.215544 (E_RNA)
where:
Base-Base interactions energy: -29.989
where: short stacking energy: -29.989
Base-Backbone interact. energy: -0.105
local terms energy: -52.121831
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -233.626246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.626246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.626246 (E_RNA)
where:
Base-Base interactions energy: -151.515
where: short stacking energy: -74.947
Base-Backbone interact. energy: -0.005
local terms energy: -82.106315
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -222.559171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.559171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.559171 (E_RNA)
where:
Base-Base interactions energy: -152.954
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.010
local terms energy: -69.595074
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -214.941736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.941736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.941736 (E_RNA)
where:
Base-Base interactions energy: -149.447
where: short stacking energy: -65.989
Base-Backbone interact. energy: -0.632
local terms energy: -64.862590
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -197.092224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.092224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.092224 (E_RNA)
where:
Base-Base interactions energy: -139.073
where: short stacking energy: -47.902
Base-Backbone interact. energy: -0.064
local terms energy: -57.955625
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -11.363
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: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -163.794995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.794995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.794995 (E_RNA)
where:
Base-Base interactions energy: -94.441
where: short stacking energy: -61.324
Base-Backbone interact. energy: -0.426
local terms energy: -68.927697
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -182.039049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.039049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.039049 (E_RNA)
where:
Base-Base interactions energy: -114.763
where: short stacking energy: -51.981
Base-Backbone interact. energy: -0.466
local terms energy: -66.810121
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -164.172772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.172772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.172772 (E_RNA)
where:
Base-Base interactions energy: -108.851
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.023
local terms energy: -55.298311
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -72.091949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.091949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.091949 (E_RNA)
where:
Base-Base interactions energy: -24.868
where: short stacking energy: -24.868
Base-Backbone interact. energy: -0.038
local terms energy: -47.186751
where:
bonds (distance) C4'-P energy: -7.284
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -9.669
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: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -83.907228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.907228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.907228 (E_RNA)
where:
Base-Base interactions energy: -35.773
where: short stacking energy: -30.955
Base-Backbone interact. energy: -0.139
local terms energy: -47.994490
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -7.609
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -9.761
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: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -78.994905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.994905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.994905 (E_RNA)
where:
Base-Base interactions energy: -36.124
where: short stacking energy: -33.751
Base-Backbone interact. energy: -0.477
local terms energy: -42.393787
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -4.806
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -1.685
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: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -237.417778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.417778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.417778 (E_RNA)
where:
Base-Base interactions energy: -156.785
where: short stacking energy: -74.543
Base-Backbone interact. energy: -0.001
local terms energy: -80.631604
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -214.437733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.437733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.437733 (E_RNA)
where:
Base-Base interactions energy: -145.894
where: short stacking energy: -61.783
Base-Backbone interact. energy: -0.317
local terms energy: -68.226070
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -224.115182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.115182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.115182 (E_RNA)
where:
Base-Base interactions energy: -147.223
where: short stacking energy: -72.436
Base-Backbone interact. energy: -0.050
local terms energy: -76.842988
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -22.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -206.638392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.638392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.638392 (E_RNA)
where:
Base-Base interactions energy: -132.762
where: short stacking energy: -58.763
Base-Backbone interact. energy: -0.064
local terms energy: -73.812457
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -11.800
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: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -139.673793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.673793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.673793 (E_RNA)
where:
Base-Base interactions energy: -70.204
where: short stacking energy: -43.813
Base-Backbone interact. energy: -0.310
local terms energy: -69.159862
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -11.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -171.145087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.145087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.145087 (E_RNA)
where:
Base-Base interactions energy: -113.026
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.898
local terms energy: -57.221820
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -8.386
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -168.242905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.242905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.242905 (E_RNA)
where:
Base-Base interactions energy: -111.863
where: short stacking energy: -44.983
Base-Backbone interact. energy: -0.275
local terms energy: -56.104686
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -100.548640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.548640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.548640 (E_RNA)
where:
Base-Base interactions energy: -50.671
where: short stacking energy: -28.335
Base-Backbone interact. energy: -0.024
local terms energy: -49.854407
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -77.310775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.310775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.310775 (E_RNA)
where:
Base-Base interactions energy: -26.600
where: short stacking energy: -25.853
Base-Backbone interact. energy: 1.153
local terms energy: -51.863605
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -70.166303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.166303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.166303 (E_RNA)
where:
Base-Base interactions energy: -22.286
where: short stacking energy: -22.286
Base-Backbone interact. energy: -0.092
local terms energy: -47.788344
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -7.712
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: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -228.760586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.760586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.760586 (E_RNA)
where:
Base-Base interactions energy: -143.302
where: short stacking energy: -70.428
Base-Backbone interact. energy: -0.816
local terms energy: -84.642259
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -203.569293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.569293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.569293 (E_RNA)
where:
Base-Base interactions energy: -132.711
where: short stacking energy: -63.550
Base-Backbone interact. energy: 0.046
local terms energy: -70.903737
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -13.662
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: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -203.805643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.805643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.805643 (E_RNA)
where:
Base-Base interactions energy: -139.502
where: short stacking energy: -52.146
Base-Backbone interact. energy: 0.305
local terms energy: -64.608424
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -212.904475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.904475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.904475 (E_RNA)
where:
Base-Base interactions energy: -139.512
where: short stacking energy: -66.130
Base-Backbone interact. energy: 0.354
local terms energy: -73.747135
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -188.115847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.115847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.115847 (E_RNA)
where:
Base-Base interactions energy: -119.287
where: short stacking energy: -53.721
Base-Backbone interact. energy: -0.292
local terms energy: -68.536338
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -15.532
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: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -141.411223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.411223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.411223 (E_RNA)
where:
Base-Base interactions energy: -80.556
where: short stacking energy: -50.170
Base-Backbone interact. energy: -0.146
local terms energy: -60.709054
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -172.156711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.156711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.156711 (E_RNA)
where:
Base-Base interactions energy: -107.485
where: short stacking energy: -49.488
Base-Backbone interact. energy: 0.701
local terms energy: -65.371914
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -82.762233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.762233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.762233 (E_RNA)
where:
Base-Base interactions energy: -40.120
where: short stacking energy: -22.400
Base-Backbone interact. energy: -0.457
local terms energy: -42.186033
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -0.943
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -84.669315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.669315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.669315 (E_RNA)
where:
Base-Base interactions energy: -30.739
where: short stacking energy: -26.852
Base-Backbone interact. energy: -0.010
local terms energy: -53.920400
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -10.989
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: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -81.861094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.861094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.861094 (E_RNA)
where:
Base-Base interactions energy: -29.171
where: short stacking energy: -23.714
Base-Backbone interact. energy: 0.666
local terms energy: -53.356044
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -2.606
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: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -233.948616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.948616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.948616 (E_RNA)
where:
Base-Base interactions energy: -155.563
where: short stacking energy: -68.833
Base-Backbone interact. energy: -0.044
local terms energy: -78.341144
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -196.024810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.024810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.024810 (E_RNA)
where:
Base-Base interactions energy: -132.507
where: short stacking energy: -52.758
Base-Backbone interact. energy: -0.421
local terms energy: -63.096724
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -191.658610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.658610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.658610 (E_RNA)
where:
Base-Base interactions energy: -128.868
where: short stacking energy: -58.886
Base-Backbone interact. energy: 0.160
local terms energy: -62.951066
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -11.631
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: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -208.103692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.103692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.103692 (E_RNA)
where:
Base-Base interactions energy: -137.789
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.612
local terms energy: -69.702333
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -17.602
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: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -191.056573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.056573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.056573 (E_RNA)
where:
Base-Base interactions energy: -127.618
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.002
local terms energy: -63.436478
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -138.375716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.375716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.375716 (E_RNA)
where:
Base-Base interactions energy: -81.705
where: short stacking energy: -46.705
Base-Backbone interact. energy: -0.044
local terms energy: -56.625994
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -11.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -97.319524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.319524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.319524 (E_RNA)
where:
Base-Base interactions energy: -36.321
where: short stacking energy: -32.659
Base-Backbone interact. energy: -3.388
local terms energy: -57.610485
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -7.719
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: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -82.597980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.597980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.597980 (E_RNA)
where:
Base-Base interactions energy: -31.014
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.011
local terms energy: -51.572900
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -85.020652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.020652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.020652 (E_RNA)
where:
Base-Base interactions energy: -39.424
where: short stacking energy: -39.017
Base-Backbone interact. energy: 0.090
local terms energy: -45.686881
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -5.745
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: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -92.380537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.380537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.380537 (E_RNA)
where:
Base-Base interactions energy: -42.368
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.194
local terms energy: -49.818604
where:
bonds (distance) C4'-P energy: -7.624
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -230.976628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.976628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.976628 (E_RNA)
where:
Base-Base interactions energy: -154.103
where: short stacking energy: -70.765
Base-Backbone interact. energy: -0.000
local terms energy: -76.872918
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -10.427
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: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -197.702162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.702162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.702162 (E_RNA)
where:
Base-Base interactions energy: -132.787
where: short stacking energy: -49.358
Base-Backbone interact. energy: -0.362
local terms energy: -64.553756
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -10.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -208.227610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.227610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.227610 (E_RNA)
where:
Base-Base interactions energy: -137.703
where: short stacking energy: -73.631
Base-Backbone interact. energy: -0.014
local terms energy: -70.511000
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -182.445778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.445778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.445778 (E_RNA)
where:
Base-Base interactions energy: -128.758
where: short stacking energy: -53.363
Base-Backbone interact. energy: 1.525
local terms energy: -55.213005
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -182.355081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.355081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.355081 (E_RNA)
where:
Base-Base interactions energy: -115.170
where: short stacking energy: -53.937
Base-Backbone interact. energy: -0.003
local terms energy: -67.181754
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -146.043306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.043306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.043306 (E_RNA)
where:
Base-Base interactions energy: -81.638
where: short stacking energy: -48.730
Base-Backbone interact. energy: -0.131
local terms energy: -64.273898
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -107.516472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.516472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.516472 (E_RNA)
where:
Base-Base interactions energy: -43.921
where: short stacking energy: -43.921
Base-Backbone interact. energy: -0.071
local terms energy: -63.524416
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -100.179225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.179225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.179225 (E_RNA)
where:
Base-Base interactions energy: -42.631
where: short stacking energy: -20.963
Base-Backbone interact. energy: -0.200
local terms energy: -57.347630
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -84.620876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.620876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.620876 (E_RNA)
where:
Base-Base interactions energy: -28.997
where: short stacking energy: -24.854
Base-Backbone interact. energy: -0.534
local terms energy: -55.089608
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -89.877675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.877675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.877675 (E_RNA)
where:
Base-Base interactions energy: -35.465
where: short stacking energy: -30.003
Base-Backbone interact. energy: 0.224
local terms energy: -54.636602
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -8.197
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: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -230.021829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.021829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.021829 (E_RNA)
where:
Base-Base interactions energy: -150.073
where: short stacking energy: -69.594
Base-Backbone interact. energy: -0.591
local terms energy: -79.357834
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -18.747
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: 6
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -211.290105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.290105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.290105 (E_RNA)
where:
Base-Base interactions energy: -139.787
where: short stacking energy: -63.768
Base-Backbone interact. energy: -0.547
local terms energy: -70.956388
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -15.144
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: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -212.759430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.759430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.759430 (E_RNA)
where:
Base-Base interactions energy: -133.472
where: short stacking energy: -74.903
Base-Backbone interact. energy: -0.044
local terms energy: -79.243148
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -187.427617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.427617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.427617 (E_RNA)
where:
Base-Base interactions energy: -121.328
where: short stacking energy: -57.128
Base-Backbone interact. energy: -0.551
local terms energy: -65.548198
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -186.283415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.283415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.283415 (E_RNA)
where:
Base-Base interactions energy: -115.548
where: short stacking energy: -59.813
Base-Backbone interact. energy: -0.022
local terms energy: -70.713837
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -148.290393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.290393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.290393 (E_RNA)
where:
Base-Base interactions energy: -83.963
where: short stacking energy: -52.961
Base-Backbone interact. energy: 0.040
local terms energy: -64.366965
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -93.090077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.090077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.090077 (E_RNA)
where:
Base-Base interactions energy: -38.188
where: short stacking energy: -37.199
Base-Backbone interact. energy: 3.927
local terms energy: -58.829213
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -96.105130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.105130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.105130 (E_RNA)
where:
Base-Base interactions energy: -42.203
where: short stacking energy: -39.303
Base-Backbone interact. energy: -0.138
local terms energy: -53.763590
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -75.014856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.014856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.014856 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -25.733
Base-Backbone interact. energy: 0.347
local terms energy: -48.709850
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: 2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -77.996458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.996458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.996458 (E_RNA)
where:
Base-Base interactions energy: -25.919
where: short stacking energy: -23.187
Base-Backbone interact. energy: -0.190
local terms energy: -51.888309
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -0.616
tors. eta vs tors. theta energy: -5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -228.698323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.698323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.698323 (E_RNA)
where:
Base-Base interactions energy: -150.702
where: short stacking energy: -77.416
Base-Backbone interact. energy: -0.171
local terms energy: -77.824585
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -206.929898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.929898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.929898 (E_RNA)
where:
Base-Base interactions energy: -129.911
where: short stacking energy: -65.160
Base-Backbone interact. energy: -0.187
local terms energy: -76.832788
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -194.498241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.498241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.498241 (E_RNA)
where:
Base-Base interactions energy: -125.594
where: short stacking energy: -57.538
Base-Backbone interact. energy: -1.077
local terms energy: -67.827147
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -13.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -203.403805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.403805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.403805 (E_RNA)
where:
Base-Base interactions energy: -129.140
where: short stacking energy: -71.490
Base-Backbone interact. energy: -0.007
local terms energy: -74.256972
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -19.274
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: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -185.944130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.944130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.944130 (E_RNA)
where:
Base-Base interactions energy: -117.806
where: short stacking energy: -57.509
Base-Backbone interact. energy: -0.693
local terms energy: -67.444434
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -145.506543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.506543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.506543 (E_RNA)
where:
Base-Base interactions energy: -84.929
where: short stacking energy: -45.755
Base-Backbone interact. energy: -0.145
local terms energy: -60.431877
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -94.937049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.937049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.937049 (E_RNA)
where:
Base-Base interactions energy: -42.620
where: short stacking energy: -26.986
Base-Backbone interact. energy: -0.330
local terms energy: -51.987229
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -0.763
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: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -85.909275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.909275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.909275 (E_RNA)
where:
Base-Base interactions energy: -35.889
where: short stacking energy: -23.968
Base-Backbone interact. energy: -0.105
local terms energy: -49.915024
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -79.317252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.317252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.317252 (E_RNA)
where:
Base-Base interactions energy: -26.133
where: short stacking energy: -24.502
Base-Backbone interact. energy: -0.228
local terms energy: -52.955797
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -2.242
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: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -91.191875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.191875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.191875 (E_RNA)
where:
Base-Base interactions energy: -39.281
where: short stacking energy: -39.281
Base-Backbone interact. energy: -0.282
local terms energy: -51.629272
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -10.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -231.413488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.413488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.413488 (E_RNA)
where:
Base-Base interactions energy: -154.947
where: short stacking energy: -69.395
Base-Backbone interact. energy: -0.001
local terms energy: -76.466026
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -23.239
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: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -204.193623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.193623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.193623 (E_RNA)
where:
Base-Base interactions energy: -137.601
where: short stacking energy: -66.374
Base-Backbone interact. energy: 0.324
local terms energy: -66.916399
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -16.702
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: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -205.551292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.551292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.551292 (E_RNA)
where:
Base-Base interactions energy: -136.002
where: short stacking energy: -74.465
Base-Backbone interact. energy: -0.213
local terms energy: -69.335676
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -187.642662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.642662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.642662 (E_RNA)
where:
Base-Base interactions energy: -123.835
where: short stacking energy: -58.973
Base-Backbone interact. energy: -0.013
local terms energy: -63.794404
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -8.931
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: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -188.346788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.346788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.346788 (E_RNA)
where:
Base-Base interactions energy: -118.567
where: short stacking energy: -55.817
Base-Backbone interact. energy: -0.139
local terms energy: -69.640827
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -18.702
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: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -138.861012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.861012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.861012 (E_RNA)
where:
Base-Base interactions energy: -78.116
where: short stacking energy: -31.253
Base-Backbone interact. energy: -0.128
local terms energy: -60.617119
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -83.354743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.354743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.354743 (E_RNA)
where:
Base-Base interactions energy: -31.610
where: short stacking energy: -31.610
Base-Backbone interact. energy: -0.061
local terms energy: -51.684515
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -88.995937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.995937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.995937 (E_RNA)
where:
Base-Base interactions energy: -36.445
where: short stacking energy: -28.392
Base-Backbone interact. energy: -0.124
local terms energy: -52.426575
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -77.652850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.652850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.652850 (E_RNA)
where:
Base-Base interactions energy: -33.623
where: short stacking energy: -30.869
Base-Backbone interact. energy: -0.035
local terms energy: -43.994977
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -5.858
flat angles P-C4'-P energy: -8.584
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: 179
Temperature: 1.350000
Total energy: -84.267361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.267361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.267361 (E_RNA)
where:
Base-Base interactions energy: -42.401
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.173
local terms energy: -41.693183
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -6.135
flat angles P-C4'-P energy: -8.641
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: 180
Temperature: 0.900000
Total energy: -233.592755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.592755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.592755 (E_RNA)
where:
Base-Base interactions energy: -155.171
where: short stacking energy: -78.165
Base-Backbone interact. energy: -0.001
local terms energy: -78.420976
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -196.917653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.917653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.917653 (E_RNA)
where:
Base-Base interactions energy: -127.100
where: short stacking energy: -66.276
Base-Backbone interact. energy: -0.029
local terms energy: -69.789061
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -203.065978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.065978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.065978 (E_RNA)
where:
Base-Base interactions energy: -134.922
where: short stacking energy: -69.109
Base-Backbone interact. energy: -0.001
local terms energy: -68.142889
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -187.819843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.819843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.819843 (E_RNA)
where:
Base-Base interactions energy: -121.491
where: short stacking energy: -57.148
Base-Backbone interact. energy: -0.027
local terms energy: -66.302139
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -146.704779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.704779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.704779 (E_RNA)
where:
Base-Base interactions energy: -86.364
where: short stacking energy: -52.460
Base-Backbone interact. energy: 0.151
local terms energy: -60.491668
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -192.067662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.067662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.067662 (E_RNA)
where:
Base-Base interactions energy: -128.628
where: short stacking energy: -57.086
Base-Backbone interact. energy: -0.205
local terms energy: -63.234775
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -13.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -97.338586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.338586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.338586 (E_RNA)
where:
Base-Base interactions energy: -42.466
where: short stacking energy: -27.327
Base-Backbone interact. energy: -0.913
local terms energy: -53.959466
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -82.346751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.346751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.346751 (E_RNA)
where:
Base-Base interactions energy: -30.183
where: short stacking energy: -30.047
Base-Backbone interact. energy: -0.835
local terms energy: -51.328188
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -6.540
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: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -88.005885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.005885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.005885 (E_RNA)
where:
Base-Base interactions energy: -41.420
where: short stacking energy: -41.420
Base-Backbone interact. energy: -0.020
local terms energy: -46.565325
where:
bonds (distance) C4'-P energy: -7.495
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -1.328
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -68.706168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.706168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.706168 (E_RNA)
where:
Base-Base interactions energy: -30.086
where: short stacking energy: -19.760
Base-Backbone interact. energy: 0.386
local terms energy: -39.005558
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -8.253
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -2.092
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -227.949951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.949951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.949951 (E_RNA)
where:
Base-Base interactions energy: -154.479
where: short stacking energy: -74.963
Base-Backbone interact. energy: -0.000
local terms energy: -73.470440
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -213.870169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.870169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.870169 (E_RNA)
where:
Base-Base interactions energy: -143.855
where: short stacking energy: -72.863
Base-Backbone interact. energy: -0.151
local terms energy: -69.863893
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -192.531061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.531061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.531061 (E_RNA)
where:
Base-Base interactions energy: -121.750
where: short stacking energy: -55.934
Base-Backbone interact. energy: -0.300
local terms energy: -70.481934
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -187.234267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.234267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.234267 (E_RNA)
where:
Base-Base interactions energy: -123.516
where: short stacking energy: -61.425
Base-Backbone interact. energy: -0.022
local terms energy: -63.696286
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -2.701
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -137.873358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.873358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.873358 (E_RNA)
where:
Base-Base interactions energy: -80.041
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.647
local terms energy: -57.185233
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -106.230931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.230931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.230931 (E_RNA)
where:
Base-Base interactions energy: -47.075
where: short stacking energy: -42.289
Base-Backbone interact. energy: -0.142
local terms energy: -59.013782
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -9.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -165.276145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.276145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.276145 (E_RNA)
where:
Base-Base interactions energy: -104.540
where: short stacking energy: -53.769
Base-Backbone interact. energy: -0.571
local terms energy: -60.164846
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -13.881
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: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -85.163307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.163307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.163307 (E_RNA)
where:
Base-Base interactions energy: -32.420
where: short stacking energy: -26.607
Base-Backbone interact. energy: -0.577
local terms energy: -52.166229
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -95.044040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.044040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.044040 (E_RNA)
where:
Base-Base interactions energy: -41.475
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.120
local terms energy: -53.449051
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -10.977
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: 181
Temperature: 1.350000
Total energy: -87.805865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.805865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.805865 (E_RNA)
where:
Base-Base interactions energy: -44.276
where: short stacking energy: -30.095
Base-Backbone interact. energy: -0.111
local terms energy: -43.419316
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -7.321
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -5.732
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: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -220.039651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.039651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.039651 (E_RNA)
where:
Base-Base interactions energy: -142.706
where: short stacking energy: -62.910
Base-Backbone interact. energy: -0.080
local terms energy: -77.254275
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -221.133402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.133402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.133402 (E_RNA)
where:
Base-Base interactions energy: -145.803
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.002
local terms energy: -75.328884
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -199.633550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.633550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.633550 (E_RNA)
where:
Base-Base interactions energy: -127.724
where: short stacking energy: -48.915
Base-Backbone interact. energy: -0.277
local terms energy: -71.632535
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -187.854992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.854992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.854992 (E_RNA)
where:
Base-Base interactions energy: -120.384
where: short stacking energy: -55.201
Base-Backbone interact. energy: 1.172
local terms energy: -68.642546
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -138.221701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.221701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.221701 (E_RNA)
where:
Base-Base interactions energy: -84.578
where: short stacking energy: -34.505
Base-Backbone interact. energy: -0.901
local terms energy: -52.742212
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -3.326
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: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -104.973138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.973138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.973138 (E_RNA)
where:
Base-Base interactions energy: -52.477
where: short stacking energy: -38.679
Base-Backbone interact. energy: -0.094
local terms energy: -52.402232
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -128.506625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.506625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.506625 (E_RNA)
where:
Base-Base interactions energy: -75.574
where: short stacking energy: -42.312
Base-Backbone interact. energy: -0.007
local terms energy: -52.924904
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -86.863710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.863710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.863710 (E_RNA)
where:
Base-Base interactions energy: -39.478
where: short stacking energy: -36.450
Base-Backbone interact. energy: -0.356
local terms energy: -47.030451
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -4.551
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: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -77.179868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.179868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.179868 (E_RNA)
where:
Base-Base interactions energy: -32.676
where: short stacking energy: -28.818
Base-Backbone interact. energy: -0.144
local terms energy: -44.360253
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: 0.642
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: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -76.497645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.497645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.497645 (E_RNA)
where:
Base-Base interactions energy: -33.767
where: short stacking energy: -27.735
Base-Backbone interact. energy: -0.286
local terms energy: -42.444970
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -2.895
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -220.772029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.772029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.772029 (E_RNA)
where:
Base-Base interactions energy: -150.368
where: short stacking energy: -67.168
Base-Backbone interact. energy: -0.020
local terms energy: -70.384158
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -201.025877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.025877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.025877 (E_RNA)
where:
Base-Base interactions energy: -129.507
where: short stacking energy: -65.413
Base-Backbone interact. energy: -0.045
local terms energy: -71.473856
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -16.787
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: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -216.460164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.460164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.460164 (E_RNA)
where:
Base-Base interactions energy: -137.471
where: short stacking energy: -63.660
Base-Backbone interact. energy: -0.011
local terms energy: -78.979077
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -187.805169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.805169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.805169 (E_RNA)
where:
Base-Base interactions energy: -122.448
where: short stacking energy: -53.329
Base-Backbone interact. energy: 1.505
local terms energy: -66.862317
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -142.406583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.406583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.406583 (E_RNA)
where:
Base-Base interactions energy: -81.720
where: short stacking energy: -44.090
Base-Backbone interact. energy: -0.274
local terms energy: -60.412252
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -144.096047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.096047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.096047 (E_RNA)
where:
Base-Base interactions energy: -79.206
where: short stacking energy: -44.406
Base-Backbone interact. energy: -0.221
local terms energy: -64.669293
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -97.397717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.397717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.397717 (E_RNA)
where:
Base-Base interactions energy: -48.373
where: short stacking energy: -32.527
Base-Backbone interact. energy: 0.625
local terms energy: -49.649485
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: 0.950
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: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -95.059435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.059435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.059435 (E_RNA)
where:
Base-Base interactions energy: -49.126
where: short stacking energy: -16.350
Base-Backbone interact. energy: 0.309
local terms energy: -46.242592
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: 2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -109.624354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.624354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.624354 (E_RNA)
where:
Base-Base interactions energy: -60.413
where: short stacking energy: -38.344
Base-Backbone interact. energy: -0.134
local terms energy: -49.077443
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -83.474509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.474509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.474509 (E_RNA)
where:
Base-Base interactions energy: -28.007
where: short stacking energy: -28.007
Base-Backbone interact. energy: -0.003
local terms energy: -55.465082
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -8.251
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -212.743305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.743305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.743305 (E_RNA)
where:
Base-Base interactions energy: -141.748
where: short stacking energy: -67.024
Base-Backbone interact. energy: 0.461
local terms energy: -71.457199
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -202.772768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.772768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.772768 (E_RNA)
where:
Base-Base interactions energy: -129.523
where: short stacking energy: -68.344
Base-Backbone interact. energy: -0.014
local terms energy: -73.235384
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -3.313
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -198.125124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.125124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.125124 (E_RNA)
where:
Base-Base interactions energy: -128.906
where: short stacking energy: -57.920
Base-Backbone interact. energy: -0.324
local terms energy: -68.895872
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -12.483
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: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -220.162219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.162219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.162219 (E_RNA)
where:
Base-Base interactions energy: -142.292
where: short stacking energy: -61.492
Base-Backbone interact. energy: -0.879
local terms energy: -76.991319
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -9.844
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: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -145.358281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.358281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.358281 (E_RNA)
where:
Base-Base interactions energy: -82.712
where: short stacking energy: -50.435
Base-Backbone interact. energy: -0.011
local terms energy: -62.634997
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -128.246667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.246667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.246667 (E_RNA)
where:
Base-Base interactions energy: -65.293
where: short stacking energy: -34.360
Base-Backbone interact. energy: -1.073
local terms energy: -61.880197
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -85.043600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.043600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.043600 (E_RNA)
where:
Base-Base interactions energy: -37.539
where: short stacking energy: -36.817
Base-Backbone interact. energy: 2.461
local terms energy: -49.965090
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -12.046
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: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -85.289412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.289412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.289412 (E_RNA)
where:
Base-Base interactions energy: -36.449
where: short stacking energy: -27.181
Base-Backbone interact. energy: 3.396
local terms energy: -52.236107
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -1.523
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: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -88.977185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.977185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.977185 (E_RNA)
where:
Base-Base interactions energy: -42.264
where: short stacking energy: -25.738
Base-Backbone interact. energy: -0.210
local terms energy: -46.502909
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -1.259
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: 184
Temperature: 1.350000
Total energy: -110.018559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.018559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.018559 (E_RNA)
where:
Base-Base interactions energy: -54.020
where: short stacking energy: -25.909
Base-Backbone interact. energy: -0.816
local terms energy: -55.182922
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -210.250958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.250958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.250958 (E_RNA)
where:
Base-Base interactions energy: -133.296
where: short stacking energy: -73.580
Base-Backbone interact. energy: -0.001
local terms energy: -76.954316
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -9.501
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: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -198.344039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.344039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.344039 (E_RNA)
where:
Base-Base interactions energy: -127.979
where: short stacking energy: -62.128
Base-Backbone interact. energy: -0.006
local terms energy: -70.358818
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -190.241153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.241153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.241153 (E_RNA)
where:
Base-Base interactions energy: -121.652
where: short stacking energy: -58.074
Base-Backbone interact. energy: -0.203
local terms energy: -68.385864
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -15.281
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: 185
Temperature: 1.050000
Total energy: -209.406016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.406016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.406016 (E_RNA)
where:
Base-Base interactions energy: -128.216
where: short stacking energy: -72.556
Base-Backbone interact. energy: -0.314
local terms energy: -80.876096
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -18.635
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: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -151.798643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.798643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.798643 (E_RNA)
where:
Base-Base interactions energy: -85.990
where: short stacking energy: -49.450
Base-Backbone interact. energy: -0.051
local terms energy: -65.757843
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -113.971642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.971642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.971642 (E_RNA)
where:
Base-Base interactions energy: -63.926
where: short stacking energy: -36.474
Base-Backbone interact. energy: -0.633
local terms energy: -49.413471
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -128.090189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.090189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.090189 (E_RNA)
where:
Base-Base interactions energy: -69.164
where: short stacking energy: -40.290
Base-Backbone interact. energy: -0.267
local terms energy: -58.659651
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -88.677876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.677876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.677876 (E_RNA)
where:
Base-Base interactions energy: -34.679
where: short stacking energy: -27.306
Base-Backbone interact. energy: -0.474
local terms energy: -53.525170
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -87.611429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.611429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.611429 (E_RNA)
where:
Base-Base interactions energy: -36.243
where: short stacking energy: -31.548
Base-Backbone interact. energy: 1.028
local terms energy: -52.396752
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -3.746
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: 185
Temperature: 1.350000
Total energy: -121.028166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.028166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.028166 (E_RNA)
where:
Base-Base interactions energy: -75.013
where: short stacking energy: -31.438
Base-Backbone interact. energy: -0.176
local terms energy: -45.839381
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -209.378904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.378904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.378904 (E_RNA)
where:
Base-Base interactions energy: -135.765
where: short stacking energy: -71.870
Base-Backbone interact. energy: -0.071
local terms energy: -73.542175
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -19.742
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: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -201.105445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.105445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.105445 (E_RNA)
where:
Base-Base interactions energy: -134.242
where: short stacking energy: -68.333
Base-Backbone interact. energy: -0.005
local terms energy: -66.858686
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -198.013436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.013436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.013436 (E_RNA)
where:
Base-Base interactions energy: -132.361
where: short stacking energy: -57.433
Base-Backbone interact. energy: -0.516
local terms energy: -65.135970
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -13.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -204.291193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.291193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.291193 (E_RNA)
where:
Base-Base interactions energy: -132.959
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.002
local terms energy: -71.330794
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -8.053
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: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -151.406354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.406354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.406354 (E_RNA)
where:
Base-Base interactions energy: -87.569
where: short stacking energy: -56.383
Base-Backbone interact. energy: -0.080
local terms energy: -63.757794
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -143.340987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.340987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.340987 (E_RNA)
where:
Base-Base interactions energy: -85.018
where: short stacking energy: -54.774
Base-Backbone interact. energy: 0.530
local terms energy: -58.852926
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -8.355
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: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -131.318187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.318187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.318187 (E_RNA)
where:
Base-Base interactions energy: -79.842
where: short stacking energy: -37.203
Base-Backbone interact. energy: -0.566
local terms energy: -50.909741
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -77.200612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.200612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.200612 (E_RNA)
where:
Base-Base interactions energy: -30.518
where: short stacking energy: -23.521
Base-Backbone interact. energy: -0.028
local terms energy: -46.654568
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -113.578172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.578172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.578172 (E_RNA)
where:
Base-Base interactions energy: -69.188
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.210
local terms energy: -44.179902
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -5.254
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: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -79.834760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.834760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.834760 (E_RNA)
where:
Base-Base interactions energy: -26.192
where: short stacking energy: -26.192
Base-Backbone interact. energy: 0.904
local terms energy: -54.546114
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -0.552
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: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -212.275111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.275111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.275111 (E_RNA)
where:
Base-Base interactions energy: -145.171
where: short stacking energy: -72.029
Base-Backbone interact. energy: -0.163
local terms energy: -66.941127
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -202.045103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.045103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.045103 (E_RNA)
where:
Base-Base interactions energy: -130.617
where: short stacking energy: -57.576
Base-Backbone interact. energy: -0.110
local terms energy: -71.318128
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -197.605450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.605450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.605450 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -64.158
Base-Backbone interact. energy: -0.620
local terms energy: -69.915542
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -218.768887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.768887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.768887 (E_RNA)
where:
Base-Base interactions energy: -140.350
where: short stacking energy: -69.189
Base-Backbone interact. energy: -0.002
local terms energy: -78.416469
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -21.275
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: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -146.707474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.707474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.707474 (E_RNA)
where:
Base-Base interactions energy: -87.075
where: short stacking energy: -36.600
Base-Backbone interact. energy: -0.800
local terms energy: -58.832473
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -5.359
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: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -131.811695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.811695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.811695 (E_RNA)
where:
Base-Base interactions energy: -74.938
where: short stacking energy: -30.520
Base-Backbone interact. energy: -0.149
local terms energy: -56.725020
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -121.733569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.733569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.733569 (E_RNA)
where:
Base-Base interactions energy: -71.386
where: short stacking energy: -43.607
Base-Backbone interact. energy: -0.394
local terms energy: -49.953736
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -0.367
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: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -139.304753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.304753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.304753 (E_RNA)
where:
Base-Base interactions energy: -74.352
where: short stacking energy: -39.662
Base-Backbone interact. energy: -0.029
local terms energy: -64.923639
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -73.215160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.215160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.215160 (E_RNA)
where:
Base-Base interactions energy: -22.763
where: short stacking energy: -24.263
Base-Backbone interact. energy: -0.512
local terms energy: -49.940999
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.521
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: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -82.960929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.960929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.960929 (E_RNA)
where:
Base-Base interactions energy: -35.591
where: short stacking energy: -30.249
Base-Backbone interact. energy: 0.323
local terms energy: -47.692958
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -11.428
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: 0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -205.571293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.571293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.571293 (E_RNA)
where:
Base-Base interactions energy: -134.926
where: short stacking energy: -59.142
Base-Backbone interact. energy: -0.560
local terms energy: -70.085391
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -8.801
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: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -211.141693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.141693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.141693 (E_RNA)
where:
Base-Base interactions energy: -141.324
where: short stacking energy: -66.497
Base-Backbone interact. energy: -0.020
local terms energy: -69.797721
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -223.763237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.763237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.763237 (E_RNA)
where:
Base-Base interactions energy: -147.641
where: short stacking energy: -69.644
Base-Backbone interact. energy: -0.433
local terms energy: -75.689281
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -182.107845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.107845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.107845 (E_RNA)
where:
Base-Base interactions energy: -114.265
where: short stacking energy: -47.607
Base-Backbone interact. energy: -1.114
local terms energy: -66.729009
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -11.843
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: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -143.171761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.171761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.171761 (E_RNA)
where:
Base-Base interactions energy: -81.948
where: short stacking energy: -41.546
Base-Backbone interact. energy: -0.166
local terms energy: -61.058212
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -143.769933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.769933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.769933 (E_RNA)
where:
Base-Base interactions energy: -83.118
where: short stacking energy: -43.716
Base-Backbone interact. energy: -0.120
local terms energy: -60.532232
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -11.291
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: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -133.696143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.696143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.696143 (E_RNA)
where:
Base-Base interactions energy: -81.652
where: short stacking energy: -43.829
Base-Backbone interact. energy: -0.153
local terms energy: -51.890853
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -3.784
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -142.750265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.750265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.750265 (E_RNA)
where:
Base-Base interactions energy: -96.552
where: short stacking energy: -39.348
Base-Backbone interact. energy: -0.906
local terms energy: -45.292264
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -87.449973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.449973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.449973 (E_RNA)
where:
Base-Base interactions energy: -30.233
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.089
local terms energy: -57.127988
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -96.804434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.804434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.804434 (E_RNA)
where:
Base-Base interactions energy: -46.075
where: short stacking energy: -23.781
Base-Backbone interact. energy: 2.408
local terms energy: -53.137597
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -215.568580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.568580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.568580 (E_RNA)
where:
Base-Base interactions energy: -138.749
where: short stacking energy: -68.179
Base-Backbone interact. energy: -0.044
local terms energy: -76.776420
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -9.429
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: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -227.709662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.709662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.709662 (E_RNA)
where:
Base-Base interactions energy: -149.259
where: short stacking energy: -69.922
Base-Backbone interact. energy: -0.005
local terms energy: -78.444950
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -18.671
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: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -193.963347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.963347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.963347 (E_RNA)
where:
Base-Base interactions energy: -135.815
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.358
local terms energy: -57.789695
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -14.654
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: 189
Temperature: 1.050000
Total energy: -195.927144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.927144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.927144 (E_RNA)
where:
Base-Base interactions energy: -133.310
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.114
local terms energy: -62.502758
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -149.951742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.951742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.951742 (E_RNA)
where:
Base-Base interactions energy: -94.306
where: short stacking energy: -48.818
Base-Backbone interact. energy: -0.330
local terms energy: -55.316382
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -8.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -137.588301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.588301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.588301 (E_RNA)
where:
Base-Base interactions energy: -81.601
where: short stacking energy: -44.994
Base-Backbone interact. energy: -0.517
local terms energy: -55.470895
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -6.720
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: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -132.236209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.236209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.236209 (E_RNA)
where:
Base-Base interactions energy: -76.249
where: short stacking energy: -31.520
Base-Backbone interact. energy: -0.252
local terms energy: -55.734600
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -3.504
tors. eta vs tors. theta energy: -8.039
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: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -152.129492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.129492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.129492 (E_RNA)
where:
Base-Base interactions energy: -102.809
where: short stacking energy: -50.074
Base-Backbone interact. energy: -0.597
local terms energy: -48.723232
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -4.535
flat angles P-C4'-P energy: -2.104
tors. eta vs tors. theta energy: -12.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -81.311246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.311246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.311246 (E_RNA)
where:
Base-Base interactions energy: -30.049
where: short stacking energy: -30.049
Base-Backbone interact. energy: 0.375
local terms energy: -51.637113
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -77.542171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.542171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.542171 (E_RNA)
where:
Base-Base interactions energy: -22.089
where: short stacking energy: -14.620
Base-Backbone interact. energy: 0.202
local terms energy: -55.655186
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -3.525
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: 1, replica: 3
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -230.887073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.887073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.887073 (E_RNA)
where:
Base-Base interactions energy: -149.958
where: short stacking energy: -67.063
Base-Backbone interact. energy: -0.592
local terms energy: -80.337627
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -11.798
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: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -209.152177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.152177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.152177 (E_RNA)
where:
Base-Base interactions energy: -134.400
where: short stacking energy: -71.109
Base-Backbone interact. energy: 0.154
local terms energy: -74.906398
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -19.072
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: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -213.974552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.974552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.974552 (E_RNA)
where:
Base-Base interactions energy: -142.999
where: short stacking energy: -63.882
Base-Backbone interact. energy: -0.807
local terms energy: -70.169285
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -195.585561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.585561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.585561 (E_RNA)
where:
Base-Base interactions energy: -124.444
where: short stacking energy: -70.214
Base-Backbone interact. energy: -0.421
local terms energy: -70.720766
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -146.097788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.097788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.097788 (E_RNA)
where:
Base-Base interactions energy: -89.492
where: short stacking energy: -54.229
Base-Backbone interact. energy: -0.310
local terms energy: -56.296164
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -9.179
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: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -132.706329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.706329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.706329 (E_RNA)
where:
Base-Base interactions energy: -79.737
where: short stacking energy: -34.719
Base-Backbone interact. energy: -1.079
local terms energy: -51.889949
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -166.486742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.486742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.486742 (E_RNA)
where:
Base-Base interactions energy: -105.312
where: short stacking energy: -60.151
Base-Backbone interact. energy: -0.031
local terms energy: -61.143885
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -10.180
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: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -113.549326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.549326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.549326 (E_RNA)
where:
Base-Base interactions energy: -69.682
where: short stacking energy: -34.524
Base-Backbone interact. energy: -0.450
local terms energy: -43.417207
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -9.093
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: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -80.459088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.459088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.459088 (E_RNA)
where:
Base-Base interactions energy: -30.653
where: short stacking energy: -28.107
Base-Backbone interact. energy: -0.039
local terms energy: -49.767446
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -78.676423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.676423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.676423 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -21.397
Base-Backbone interact. energy: 0.415
local terms energy: -40.588696
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -5.753
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: 3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -233.339995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.339995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.339995 (E_RNA)
where:
Base-Base interactions energy: -145.732
where: short stacking energy: -69.423
Base-Backbone interact. energy: -0.063
local terms energy: -87.545000
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -13.004
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: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -207.145807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.145807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.145807 (E_RNA)
where:
Base-Base interactions energy: -135.390
where: short stacking energy: -51.334
Base-Backbone interact. energy: -0.446
local terms energy: -71.309408
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -10.046
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: 191
Temperature: 1.000000
Total energy: -205.413270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.413270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.413270 (E_RNA)
where:
Base-Base interactions energy: -131.305
where: short stacking energy: -71.995
Base-Backbone interact. energy: -0.565
local terms energy: -73.543175
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -183.083063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.083063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.083063 (E_RNA)
where:
Base-Base interactions energy: -127.260
where: short stacking energy: -62.934
Base-Backbone interact. energy: -0.041
local terms energy: -55.782975
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -162.301001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.301001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.301001 (E_RNA)
where:
Base-Base interactions energy: -98.561
where: short stacking energy: -53.708
Base-Backbone interact. energy: -0.014
local terms energy: -63.726164
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -149.092021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.092021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.092021 (E_RNA)
where:
Base-Base interactions energy: -89.895
where: short stacking energy: -54.929
Base-Backbone interact. energy: -0.883
local terms energy: -58.313154
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -2.825
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -114.872463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.872463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.872463 (E_RNA)
where:
Base-Base interactions energy: -74.861
where: short stacking energy: -30.088
Base-Backbone interact. energy: -0.276
local terms energy: -39.735739
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -84.581254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.581254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.581254 (E_RNA)
where:
Base-Base interactions energy: -29.453
where: short stacking energy: -29.453
Base-Backbone interact. energy: -0.258
local terms energy: -54.869717
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -118.399557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.399557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.399557 (E_RNA)
where:
Base-Base interactions energy: -70.102
where: short stacking energy: -35.533
Base-Backbone interact. energy: -0.389
local terms energy: -47.907754
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -78.326401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.326401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.326401 (E_RNA)
where:
Base-Base interactions energy: -32.528
where: short stacking energy: -19.944
Base-Backbone interact. energy: -0.387
local terms energy: -45.410751
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -8.668
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -223.780228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.780228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.780228 (E_RNA)
where:
Base-Base interactions energy: -153.601
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.448
local terms energy: -69.730843
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -225.422626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.422626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.422626 (E_RNA)
where:
Base-Base interactions energy: -143.650
where: short stacking energy: -65.675
Base-Backbone interact. energy: -0.489
local terms energy: -81.284336
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -190.183723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.183723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.183723 (E_RNA)
where:
Base-Base interactions energy: -123.666
where: short stacking energy: -59.628
Base-Backbone interact. energy: -0.043
local terms energy: -66.475082
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -16.052
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: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -192.256069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.256069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.256069 (E_RNA)
where:
Base-Base interactions energy: -116.821
where: short stacking energy: -62.977
Base-Backbone interact. energy: -0.080
local terms energy: -75.354779
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -20.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -149.838832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.838832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.838832 (E_RNA)
where:
Base-Base interactions energy: -79.531
where: short stacking energy: -45.473
Base-Backbone interact. energy: -0.892
local terms energy: -69.416268
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -143.744871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.744871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.744871 (E_RNA)
where:
Base-Base interactions energy: -84.102
where: short stacking energy: -35.439
Base-Backbone interact. energy: -0.055
local terms energy: -59.587930
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -8.410
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: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -136.388363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.388363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.388363 (E_RNA)
where:
Base-Base interactions energy: -91.971
where: short stacking energy: -40.326
Base-Backbone interact. energy: -0.086
local terms energy: -44.331847
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -4.566
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: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -84.508995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.508995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.508995 (E_RNA)
where:
Base-Base interactions energy: -42.158
where: short stacking energy: -30.622
Base-Backbone interact. energy: -0.182
local terms energy: -42.169120
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -6.981
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -80.123939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.123939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.123939 (E_RNA)
where:
Base-Base interactions energy: -26.129
where: short stacking energy: -24.951
Base-Backbone interact. energy: -0.195
local terms energy: -53.799686
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -1.724
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: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -79.327456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.327456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.327456 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -23.147
Base-Backbone interact. energy: -0.257
local terms energy: -46.125102
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -9.323
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -220.918632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.918632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.918632 (E_RNA)
where:
Base-Base interactions energy: -147.892
where: short stacking energy: -63.796
Base-Backbone interact. energy: -0.275
local terms energy: -72.750907
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -222.298417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.298417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.298417 (E_RNA)
where:
Base-Base interactions energy: -145.627
where: short stacking energy: -66.706
Base-Backbone interact. energy: -0.622
local terms energy: -76.049283
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -183.979924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.979924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.979924 (E_RNA)
where:
Base-Base interactions energy: -116.930
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.024
local terms energy: -67.025065
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -191.883827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.883827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.883827 (E_RNA)
where:
Base-Base interactions energy: -122.425
where: short stacking energy: -57.747
Base-Backbone interact. energy: -0.020
local terms energy: -69.438513
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -162.867809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.867809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.867809 (E_RNA)
where:
Base-Base interactions energy: -95.275
where: short stacking energy: -54.268
Base-Backbone interact. energy: -0.105
local terms energy: -67.488480
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -131.004580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.004580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.004580 (E_RNA)
where:
Base-Base interactions energy: -76.595
where: short stacking energy: -41.478
Base-Backbone interact. energy: -0.837
local terms energy: -53.572460
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.170
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: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -124.610245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.610245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.610245 (E_RNA)
where:
Base-Base interactions energy: -69.456
where: short stacking energy: -38.149
Base-Backbone interact. energy: -0.006
local terms energy: -55.147916
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -101.947110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.947110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.947110 (E_RNA)
where:
Base-Base interactions energy: -45.280
where: short stacking energy: -44.152
Base-Backbone interact. energy: -0.232
local terms energy: -56.434454
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -81.686759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.686759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.686759 (E_RNA)
where:
Base-Base interactions energy: -33.519
where: short stacking energy: -24.969
Base-Backbone interact. energy: -0.162
local terms energy: -48.006344
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -85.552415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.552415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.552415 (E_RNA)
where:
Base-Base interactions energy: -31.971
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.790
local terms energy: -52.791302
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -239.363977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.363977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.363977 (E_RNA)
where:
Base-Base interactions energy: -158.835
where: short stacking energy: -72.749
Base-Backbone interact. energy: -0.122
local terms energy: -80.406194
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -221.676066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.676066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.676066 (E_RNA)
where:
Base-Base interactions energy: -154.931
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.081
local terms energy: -66.663284
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -204.053954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.053954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.053954 (E_RNA)
where:
Base-Base interactions energy: -137.069
where: short stacking energy: -68.856
Base-Backbone interact. energy: -0.013
local terms energy: -66.971831
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -197.936752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.936752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.936752 (E_RNA)
where:
Base-Base interactions energy: -129.063
where: short stacking energy: -65.964
Base-Backbone interact. energy: -0.326
local terms energy: -68.547830
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -18.006
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: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -150.703738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.703738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.703738 (E_RNA)
where:
Base-Base interactions energy: -80.655
where: short stacking energy: -45.603
Base-Backbone interact. energy: -0.059
local terms energy: -69.989904
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -135.343601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.343601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.343601 (E_RNA)
where:
Base-Base interactions energy: -83.086
where: short stacking energy: -49.295
Base-Backbone interact. energy: -0.431
local terms energy: -51.826102
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -148.899129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.899129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.899129 (E_RNA)
where:
Base-Base interactions energy: -92.162
where: short stacking energy: -46.646
Base-Backbone interact. energy: -0.051
local terms energy: -56.685975
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -102.215809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.215809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.215809 (E_RNA)
where:
Base-Base interactions energy: -40.406
where: short stacking energy: -40.406
Base-Backbone interact. energy: -0.119
local terms energy: -61.690482
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -80.699711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.699711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.699711 (E_RNA)
where:
Base-Base interactions energy: -28.819
where: short stacking energy: -30.319
Base-Backbone interact. energy: -0.125
local terms energy: -51.755875
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -80.380142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.380142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.380142 (E_RNA)
where:
Base-Base interactions energy: -41.874
where: short stacking energy: -25.809
Base-Backbone interact. energy: 0.012
local terms energy: -38.517981
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: 1.773
tors. eta vs tors. theta energy: -4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -231.788574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.788574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.788574 (E_RNA)
where:
Base-Base interactions energy: -158.287
where: short stacking energy: -78.791
Base-Backbone interact. energy: -0.001
local terms energy: -73.500699
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -198.519935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.519935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.519935 (E_RNA)
where:
Base-Base interactions energy: -140.133
where: short stacking energy: -63.309
Base-Backbone interact. energy: 1.019
local terms energy: -59.406335
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.070
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: 3, replica: 7
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -209.251244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.251244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.251244 (E_RNA)
where:
Base-Base interactions energy: -152.110
where: short stacking energy: -57.754
Base-Backbone interact. energy: -0.378
local terms energy: -56.763396
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -196.543132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.543132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.543132 (E_RNA)
where:
Base-Base interactions energy: -125.889
where: short stacking energy: -68.980
Base-Backbone interact. energy: -0.031
local terms energy: -70.623159
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -14.632
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: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -144.560972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.560972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.560972 (E_RNA)
where:
Base-Base interactions energy: -82.287
where: short stacking energy: -45.351
Base-Backbone interact. energy: -0.043
local terms energy: -62.230217
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -147.497065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.497065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.497065 (E_RNA)
where:
Base-Base interactions energy: -88.614
where: short stacking energy: -57.130
Base-Backbone interact. energy: -0.013
local terms energy: -58.870430
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -11.383
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: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -122.621635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.621635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.621635 (E_RNA)
where:
Base-Base interactions energy: -70.692
where: short stacking energy: -34.600
Base-Backbone interact. energy: -0.236
local terms energy: -51.693595
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -110.625632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.625632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.625632 (E_RNA)
where:
Base-Base interactions energy: -60.733
where: short stacking energy: -29.227
Base-Backbone interact. energy: -0.301
local terms energy: -49.591481
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -82.595513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.595513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.595513 (E_RNA)
where:
Base-Base interactions energy: -31.529
where: short stacking energy: -31.529
Base-Backbone interact. energy: -0.077
local terms energy: -50.989994
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -5.105
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: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -79.275127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.275127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.275127 (E_RNA)
where:
Base-Base interactions energy: -27.890
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.147
local terms energy: -51.238469
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -230.657384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.657384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.657384 (E_RNA)
where:
Base-Base interactions energy: -152.764
where: short stacking energy: -72.525
Base-Backbone interact. energy: -0.027
local terms energy: -77.866624
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -22.104
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: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -200.320135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.320135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.320135 (E_RNA)
where:
Base-Base interactions energy: -132.751
where: short stacking energy: -64.053
Base-Backbone interact. energy: -0.023
local terms energy: -67.545632
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -8.099
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: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -219.132133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.132133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.132133 (E_RNA)
where:
Base-Base interactions energy: -153.358
where: short stacking energy: -46.377
Base-Backbone interact. energy: -0.941
local terms energy: -64.832676
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -13.128
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: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -189.958142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.958142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.958142 (E_RNA)
where:
Base-Base interactions energy: -121.852
where: short stacking energy: -63.466
Base-Backbone interact. energy: -0.241
local terms energy: -67.864414
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -10.421
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: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -144.446940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.446940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.446940 (E_RNA)
where:
Base-Base interactions energy: -80.325
where: short stacking energy: -44.700
Base-Backbone interact. energy: -0.079
local terms energy: -64.042942
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -11.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -136.110870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.110870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.110870 (E_RNA)
where:
Base-Base interactions energy: -82.618
where: short stacking energy: -48.118
Base-Backbone interact. energy: -0.255
local terms energy: -53.238197
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -93.582343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.582343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.582343 (E_RNA)
where:
Base-Base interactions energy: -50.182
where: short stacking energy: -29.304
Base-Backbone interact. energy: -0.409
local terms energy: -42.991898
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: 0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -83.505497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.505497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.505497 (E_RNA)
where:
Base-Base interactions energy: -37.701
where: short stacking energy: -18.218
Base-Backbone interact. energy: -0.717
local terms energy: -45.088222
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: 3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -83.235415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.235415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.235415 (E_RNA)
where:
Base-Base interactions energy: -35.954
where: short stacking energy: -30.438
Base-Backbone interact. energy: -0.424
local terms energy: -46.857616
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -6.050
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -73.270692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.270692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.270692 (E_RNA)
where:
Base-Base interactions energy: -29.947
where: short stacking energy: -29.947
Base-Backbone interact. energy: -0.254
local terms energy: -43.069939
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -5.857
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: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -235.667605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.667605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.667605 (E_RNA)
where:
Base-Base interactions energy: -160.185
where: short stacking energy: -76.178
Base-Backbone interact. energy: -0.001
local terms energy: -75.481459
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -10.411
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: 197
Temperature: 0.950000
Total energy: -198.122654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.122654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.122654 (E_RNA)
where:
Base-Base interactions energy: -128.092
where: short stacking energy: -56.958
Base-Backbone interact. energy: -0.022
local terms energy: -70.008499
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -221.490956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.490956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.490956 (E_RNA)
where:
Base-Base interactions energy: -159.828
where: short stacking energy: -53.813
Base-Backbone interact. energy: -0.331
local terms energy: -61.332291
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -190.958842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.958842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.958842 (E_RNA)
where:
Base-Base interactions energy: -123.887
where: short stacking energy: -66.147
Base-Backbone interact. energy: -0.000
local terms energy: -67.071199
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -9.872
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: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -140.546735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.546735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.546735 (E_RNA)
where:
Base-Base interactions energy: -76.955
where: short stacking energy: -47.598
Base-Backbone interact. energy: -0.002
local terms energy: -63.589520
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -13.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -140.498685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.498685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.498685 (E_RNA)
where:
Base-Base interactions energy: -87.815
where: short stacking energy: -36.848
Base-Backbone interact. energy: -1.081
local terms energy: -51.602724
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -1.478
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: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -94.960536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.960536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.960536 (E_RNA)
where:
Base-Base interactions energy: -42.404
where: short stacking energy: -20.154
Base-Backbone interact. energy: 0.601
local terms energy: -53.157629
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -3.197
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: 197
Temperature: 1.250000
Total energy: -82.179220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.179220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.179220 (E_RNA)
where:
Base-Base interactions energy: -29.375
where: short stacking energy: -28.270
Base-Backbone interact. energy: -0.425
local terms energy: -52.379686
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -87.304420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.304420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.304420 (E_RNA)
where:
Base-Base interactions energy: -38.151
where: short stacking energy: -35.523
Base-Backbone interact. energy: -0.139
local terms energy: -49.014666
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -7.063
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: 10, replica: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -76.926190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.926190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.926190 (E_RNA)
where:
Base-Base interactions energy: -26.734
where: short stacking energy: -26.734
Base-Backbone interact. energy: -0.210
local terms energy: -49.981567
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -8.205
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: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -221.494632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.494632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.494632 (E_RNA)
where:
Base-Base interactions energy: -144.313
where: short stacking energy: -66.055
Base-Backbone interact. energy: -0.992
local terms energy: -76.189912
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -190.189631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.189631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.189631 (E_RNA)
where:
Base-Base interactions energy: -123.939
where: short stacking energy: -59.548
Base-Backbone interact. energy: 1.068
local terms energy: -67.318627
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -216.694458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.694458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.694458 (E_RNA)
where:
Base-Base interactions energy: -154.067
where: short stacking energy: -52.708
Base-Backbone interact. energy: -0.336
local terms energy: -62.291336
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -192.072072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.072072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.072072 (E_RNA)
where:
Base-Base interactions energy: -125.335
where: short stacking energy: -66.337
Base-Backbone interact. energy: 0.784
local terms energy: -67.521087
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -158.308217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.308217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.308217 (E_RNA)
where:
Base-Base interactions energy: -93.067
where: short stacking energy: -47.071
Base-Backbone interact. energy: -0.136
local terms energy: -65.105313
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -143.702158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.702158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.702158 (E_RNA)
where:
Base-Base interactions energy: -85.247
where: short stacking energy: -46.701
Base-Backbone interact. energy: -0.491
local terms energy: -57.963848
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -98.973732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.973732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.973732 (E_RNA)
where:
Base-Base interactions energy: -47.145
where: short stacking energy: -47.145
Base-Backbone interact. energy: -0.096
local terms energy: -51.732471
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -10.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -89.351536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.351536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.351536 (E_RNA)
where:
Base-Base interactions energy: -39.400
where: short stacking energy: -39.141
Base-Backbone interact. energy: -0.649
local terms energy: -49.301781
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -82.240063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.240063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.240063 (E_RNA)
where:
Base-Base interactions energy: -38.160
where: short stacking energy: -35.102
Base-Backbone interact. energy: -0.152
local terms energy: -43.928570
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -2.954
tors. eta vs tors. theta energy: -0.554
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: 198
Temperature: 1.350000
Total energy: -74.190649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.190649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.190649 (E_RNA)
where:
Base-Base interactions energy: -25.450
where: short stacking energy: -25.096
Base-Backbone interact. energy: -0.115
local terms energy: -48.625025
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -7.114
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: 199
Temperature: 0.900000
Total energy: -226.555429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.555429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.555429 (E_RNA)
where:
Base-Base interactions energy: -144.637
where: short stacking energy: -70.807
Base-Backbone interact. energy: -0.418
local terms energy: -81.499861
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -222.971033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.971033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.971033 (E_RNA)
where:
Base-Base interactions energy: -151.824
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.404
local terms energy: -70.742831
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.167
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: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -192.535964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.535964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.535964 (E_RNA)
where:
Base-Base interactions energy: -129.106
where: short stacking energy: -62.304
Base-Backbone interact. energy: 0.955
local terms energy: -64.384964
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -11.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -150.284778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.284778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.284778 (E_RNA)
where:
Base-Base interactions energy: -84.660
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.051
local terms energy: -65.573112
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -11.936
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: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -184.768579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.768579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.768579 (E_RNA)
where:
Base-Base interactions energy: -120.083
where: short stacking energy: -55.477
Base-Backbone interact. energy: -0.094
local terms energy: -64.591923
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -108.548702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.548702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.548702 (E_RNA)
where:
Base-Base interactions energy: -48.327
where: short stacking energy: -45.639
Base-Backbone interact. energy: -0.121
local terms energy: -60.100271
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -129.689417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.689417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.689417 (E_RNA)
where:
Base-Base interactions energy: -83.574
where: short stacking energy: -39.960
Base-Backbone interact. energy: 0.917
local terms energy: -47.032265
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -8.037
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: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -93.392196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.392196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.392196 (E_RNA)
where:
Base-Base interactions energy: -40.268
where: short stacking energy: -27.765
Base-Backbone interact. energy: -0.296
local terms energy: -52.828419
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -9.837
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: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -75.614149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.614149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.614149 (E_RNA)
where:
Base-Base interactions energy: -19.726
where: short stacking energy: -16.005
Base-Backbone interact. energy: -0.168
local terms energy: -55.720308
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -2.711
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: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -75.092524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.092524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.092524 (E_RNA)
where:
Base-Base interactions energy: -29.941
where: short stacking energy: -27.508
Base-Backbone interact. energy: -0.404
local terms energy: -44.747552
where:
bonds (distance) C4'-P energy: -7.239
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -5.672
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: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -224.739877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.739877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.739877 (E_RNA)
where:
Base-Base interactions energy: -153.016
where: short stacking energy: -65.337
Base-Backbone interact. energy: -0.364
local terms energy: -71.359776
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -17.374
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: 200
Temperature: 0.950000
Total energy: -224.212121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.212121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.212121 (E_RNA)
where:
Base-Base interactions energy: -146.580
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.074
local terms energy: -77.557944
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -21.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -191.992297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.992297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.992297 (E_RNA)
where:
Base-Base interactions energy: -125.013
where: short stacking energy: -57.643
Base-Backbone interact. energy: -0.391
local terms energy: -66.588746
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -10.440
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: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -180.544869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.544869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.544869 (E_RNA)
where:
Base-Base interactions energy: -109.202
where: short stacking energy: -59.782
Base-Backbone interact. energy: -0.173
local terms energy: -71.169515
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -194.761035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.761035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.761035 (E_RNA)
where:
Base-Base interactions energy: -128.754
where: short stacking energy: -52.951
Base-Backbone interact. energy: -0.907
local terms energy: -65.100073
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -12.890
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: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -87.484299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.484299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.484299 (E_RNA)
where:
Base-Base interactions energy: -36.626
where: short stacking energy: -28.606
Base-Backbone interact. energy: -0.042
local terms energy: -50.815756
where:
bonds (distance) C4'-P energy: -7.670
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -140.550834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.550834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.550834 (E_RNA)
where:
Base-Base interactions energy: -76.888
where: short stacking energy: -44.023
Base-Backbone interact. energy: -0.169
local terms energy: -63.494289
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -94.365328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.365328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.365328 (E_RNA)
where:
Base-Base interactions energy: -34.566
where: short stacking energy: -34.566
Base-Backbone interact. energy: -0.012
local terms energy: -59.787301
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -8.015
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: 200
Temperature: 1.300000
Total energy: -88.082659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.082659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.082659 (E_RNA)
where:
Base-Base interactions energy: -28.986
where: short stacking energy: -28.986
Base-Backbone interact. energy: -0.008
local terms energy: -59.088694
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -5.440
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: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -74.732479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.732479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.732479 (E_RNA)
where:
Base-Base interactions energy: -25.434
where: short stacking energy: -24.633
Base-Backbone interact. energy: -0.014
local terms energy: -49.284541
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -223.270443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.270443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.270443 (E_RNA)
where:
Base-Base interactions energy: -152.984
where: short stacking energy: -59.184
Base-Backbone interact. energy: 0.063
local terms energy: -70.349230
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -13.247
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: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -236.759589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.759589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.759589 (E_RNA)
where:
Base-Base interactions energy: -151.373
where: short stacking energy: -72.589
Base-Backbone interact. energy: 0.299
local terms energy: -85.686231
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -21.553
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: 201
Temperature: 1.000000
Total energy: -198.171655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.171655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.171655 (E_RNA)
where:
Base-Base interactions energy: -133.796
where: short stacking energy: -63.078
Base-Backbone interact. energy: 0.944
local terms energy: -65.319465
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -188.933534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.933534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.933534 (E_RNA)
where:
Base-Base interactions energy: -116.487
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.104
local terms energy: -72.342767
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -178.692996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.692996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.692996 (E_RNA)
where:
Base-Base interactions energy: -123.677
where: short stacking energy: -47.125
Base-Backbone interact. energy: -0.241
local terms energy: -54.775128
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -6.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -160.291510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.291510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.291510 (E_RNA)
where:
Base-Base interactions energy: -100.202
where: short stacking energy: -42.030
Base-Backbone interact. energy: -0.869
local terms energy: -59.221201
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -12.078
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: 201
Temperature: 1.200000
Total energy: -93.504593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.504593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.504593 (E_RNA)
where:
Base-Base interactions energy: -33.491
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.013
local terms energy: -59.999942
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -87.400296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.400296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.400296 (E_RNA)
where:
Base-Base interactions energy: -34.884
where: short stacking energy: -34.884
Base-Backbone interact. energy: 1.754
local terms energy: -54.270404
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -86.003786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.003786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.003786 (E_RNA)
where:
Base-Base interactions energy: -33.806
where: short stacking energy: -32.812
Base-Backbone interact. energy: -0.387
local terms energy: -51.811651
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -0.227
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: 201
Temperature: 1.350000
Total energy: -81.731786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.731786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.731786 (E_RNA)
where:
Base-Base interactions energy: -34.458
where: short stacking energy: -24.312
Base-Backbone interact. energy: 1.059
local terms energy: -48.332131
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -3.810
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: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -229.798758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.798758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.798758 (E_RNA)
where:
Base-Base interactions energy: -149.672
where: short stacking energy: -76.046
Base-Backbone interact. energy: -0.011
local terms energy: -80.115636
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -220.722930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.722930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.722930 (E_RNA)
where:
Base-Base interactions energy: -147.145
where: short stacking energy: -60.509
Base-Backbone interact. energy: -0.375
local terms energy: -73.202670
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -16.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -197.841760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.841760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.841760 (E_RNA)
where:
Base-Base interactions energy: -125.330
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.136
local terms energy: -72.375548
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -9.590
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: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -193.724821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.724821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.724821 (E_RNA)
where:
Base-Base interactions energy: -123.684
where: short stacking energy: -68.624
Base-Backbone interact. energy: -0.001
local terms energy: -70.039362
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -199.182762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.182762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.182762 (E_RNA)
where:
Base-Base interactions energy: -135.471
where: short stacking energy: -53.062
Base-Backbone interact. energy: -0.798
local terms energy: -62.914360
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.728
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: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -138.358357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.358357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.358357 (E_RNA)
where:
Base-Base interactions energy: -83.722
where: short stacking energy: -45.975
Base-Backbone interact. energy: -0.276
local terms energy: -54.360252
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -9.192
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -8.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -94.711809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.711809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.711809 (E_RNA)
where:
Base-Base interactions energy: -36.048
where: short stacking energy: -36.048
Base-Backbone interact. energy: -0.095
local terms energy: -58.569346
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -4.714
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: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -83.180707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.180707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.180707 (E_RNA)
where:
Base-Base interactions energy: -34.985
where: short stacking energy: -24.753
Base-Backbone interact. energy: -0.285
local terms energy: -47.910725
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -10.018
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: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -88.279854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.279854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.279854 (E_RNA)
where:
Base-Base interactions energy: -32.358
where: short stacking energy: -28.054
Base-Backbone interact. energy: -0.027
local terms energy: -55.894568
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -6.042
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: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -76.891577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.891577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.891577 (E_RNA)
where:
Base-Base interactions energy: -24.581
where: short stacking energy: -24.581
Base-Backbone interact. energy: 0.072
local terms energy: -52.382697
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -234.887253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.887253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.887253 (E_RNA)
where:
Base-Base interactions energy: -150.217
where: short stacking energy: -76.177
Base-Backbone interact. energy: -0.669
local terms energy: -84.001829
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -219.117247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.117247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.117247 (E_RNA)
where:
Base-Base interactions energy: -148.672
where: short stacking energy: -64.690
Base-Backbone interact. energy: -0.234
local terms energy: -70.210996
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -14.226
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: 203
Temperature: 1.000000
Total energy: -204.516247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.516247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.516247 (E_RNA)
where:
Base-Base interactions energy: -136.754
where: short stacking energy: -63.419
Base-Backbone interact. energy: 2.413
local terms energy: -70.174815
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -181.284925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.284925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.284925 (E_RNA)
where:
Base-Base interactions energy: -121.254
where: short stacking energy: -51.509
Base-Backbone interact. energy: -0.058
local terms energy: -59.972968
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -194.605272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.605272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.605272 (E_RNA)
where:
Base-Base interactions energy: -128.489
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.490
local terms energy: -65.626119
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -124.807277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.807277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.807277 (E_RNA)
where:
Base-Base interactions energy: -73.920
where: short stacking energy: -43.595
Base-Backbone interact. energy: -0.139
local terms energy: -50.748190
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -81.332551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.332551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.332551 (E_RNA)
where:
Base-Base interactions energy: -34.630
where: short stacking energy: -26.174
Base-Backbone interact. energy: -0.125
local terms energy: -46.577466
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -90.794536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.794536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.794536 (E_RNA)
where:
Base-Base interactions energy: -37.225
where: short stacking energy: -32.222
Base-Backbone interact. energy: -0.453
local terms energy: -53.117052
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -6.226
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: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -80.829042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.829042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.829042 (E_RNA)
where:
Base-Base interactions energy: -21.555
where: short stacking energy: -21.413
Base-Backbone interact. energy: -0.017
local terms energy: -59.256819
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -5.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -83.253597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.253597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.253597 (E_RNA)
where:
Base-Base interactions energy: -28.696
where: short stacking energy: -26.888
Base-Backbone interact. energy: -0.715
local terms energy: -53.842583
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -222.731335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.731335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.731335 (E_RNA)
where:
Base-Base interactions energy: -153.679
where: short stacking energy: -69.081
Base-Backbone interact. energy: -0.205
local terms energy: -68.847815
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -229.769609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.769609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.769609 (E_RNA)
where:
Base-Base interactions energy: -149.311
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.116
local terms energy: -80.342658
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.016
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: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -199.514672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.514672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.514672 (E_RNA)
where:
Base-Base interactions energy: -128.534
where: short stacking energy: -65.779
Base-Backbone interact. energy: -0.077
local terms energy: -70.903581
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -16.632
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: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -187.816579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.816579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.816579 (E_RNA)
where:
Base-Base interactions energy: -118.598
where: short stacking energy: -52.095
Base-Backbone interact. energy: -0.028
local terms energy: -69.191146
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -196.074522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.074522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.074522 (E_RNA)
where:
Base-Base interactions energy: -125.716
where: short stacking energy: -53.853
Base-Backbone interact. energy: -0.253
local terms energy: -70.105752
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -139.978873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.978873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.978873 (E_RNA)
where:
Base-Base interactions energy: -79.611
where: short stacking energy: -35.254
Base-Backbone interact. energy: -0.340
local terms energy: -60.027458
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -7.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -109.954109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.954109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.954109 (E_RNA)
where:
Base-Base interactions energy: -58.288
where: short stacking energy: -35.289
Base-Backbone interact. energy: -0.014
local terms energy: -51.652687
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -90.419362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.419362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.419362 (E_RNA)
where:
Base-Base interactions energy: -45.703
where: short stacking energy: -38.996
Base-Backbone interact. energy: -0.061
local terms energy: -44.655372
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -1.493
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -71.952418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.952418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.952418 (E_RNA)
where:
Base-Base interactions energy: -28.437
where: short stacking energy: -12.120
Base-Backbone interact. energy: -0.679
local terms energy: -42.837147
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: 4.846
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: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -77.622553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.622553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.622553 (E_RNA)
where:
Base-Base interactions energy: -30.107
where: short stacking energy: -27.312
Base-Backbone interact. energy: -0.861
local terms energy: -46.654355
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -10.483
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -224.624464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.624464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.624464 (E_RNA)
where:
Base-Base interactions energy: -153.561
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.326
local terms energy: -70.737914
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -209.121693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.121693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.121693 (E_RNA)
where:
Base-Base interactions energy: -134.168
where: short stacking energy: -71.358
Base-Backbone interact. energy: -0.003
local terms energy: -74.950654
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -11.292
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: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -216.924105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.924105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.924105 (E_RNA)
where:
Base-Base interactions energy: -149.836
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.006
local terms energy: -67.082375
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -215.062275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.062275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.062275 (E_RNA)
where:
Base-Base interactions energy: -157.821
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.321
local terms energy: -56.920599
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -182.753624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.753624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.753624 (E_RNA)
where:
Base-Base interactions energy: -129.390
where: short stacking energy: -60.575
Base-Backbone interact. energy: 0.520
local terms energy: -53.883677
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -147.273507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.273507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.273507 (E_RNA)
where:
Base-Base interactions energy: -95.303
where: short stacking energy: -44.305
Base-Backbone interact. energy: -1.144
local terms energy: -50.825907
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -6.040
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: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -96.817824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.817824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.817824 (E_RNA)
where:
Base-Base interactions energy: -40.807
where: short stacking energy: -36.310
Base-Backbone interact. energy: -0.166
local terms energy: -55.844517
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -7.949
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: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -92.112874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.112874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.112874 (E_RNA)
where:
Base-Base interactions energy: -36.392
where: short stacking energy: -31.982
Base-Backbone interact. energy: 0.230
local terms energy: -55.950417
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -79.154473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.154473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.154473 (E_RNA)
where:
Base-Base interactions energy: -20.764
where: short stacking energy: -20.711
Base-Backbone interact. energy: -0.209
local terms energy: -58.182060
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -69.929800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.929800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.929800 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -17.220
Base-Backbone interact. energy: -0.161
local terms energy: -35.129496
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -10.442
flat angles C4'-P-C4' energy: -5.673
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: 3.279
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: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -231.284441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.284441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.284441 (E_RNA)
where:
Base-Base interactions energy: -167.575
where: short stacking energy: -60.857
Base-Backbone interact. energy: 0.270
local terms energy: -63.979673
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -197.124046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.124046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.124046 (E_RNA)
where:
Base-Base interactions energy: -128.228
where: short stacking energy: -67.775
Base-Backbone interact. energy: 0.582
local terms energy: -69.478618
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -9.433
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: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -217.321738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.321738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.321738 (E_RNA)
where:
Base-Base interactions energy: -155.391
where: short stacking energy: -61.687
Base-Backbone interact. energy: 0.099
local terms energy: -62.029132
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -13.905
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: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -214.104983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.104983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.104983 (E_RNA)
where:
Base-Base interactions energy: -147.364
where: short stacking energy: -64.462
Base-Backbone interact. energy: -0.098
local terms energy: -66.643622
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -184.428482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.428482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.428482 (E_RNA)
where:
Base-Base interactions energy: -122.524
where: short stacking energy: -61.032
Base-Backbone interact. energy: 0.531
local terms energy: -62.434689
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -18.294
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: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -157.853224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.853224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.853224 (E_RNA)
where:
Base-Base interactions energy: -85.817
where: short stacking energy: -48.548
Base-Backbone interact. energy: -0.042
local terms energy: -71.994356
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -15.466
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: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -100.008047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.008047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.008047 (E_RNA)
where:
Base-Base interactions energy: -44.627
where: short stacking energy: -44.627
Base-Backbone interact. energy: -0.014
local terms energy: -55.366896
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -8.056
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: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -89.943359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.943359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.943359 (E_RNA)
where:
Base-Base interactions energy: -38.516
where: short stacking energy: -33.119
Base-Backbone interact. energy: -0.183
local terms energy: -51.245338
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -6.362
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: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -87.250205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.250205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.250205 (E_RNA)
where:
Base-Base interactions energy: -46.589
where: short stacking energy: -28.387
Base-Backbone interact. energy: -0.250
local terms energy: -40.410936
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -5.334
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -80.916430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.916430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.916430 (E_RNA)
where:
Base-Base interactions energy: -35.391
where: short stacking energy: -17.064
Base-Backbone interact. energy: -0.225
local terms energy: -45.300575
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: 4.556
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: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -230.520960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.520960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.520960 (E_RNA)
where:
Base-Base interactions energy: -159.293
where: short stacking energy: -60.875
Base-Backbone interact. energy: -0.313
local terms energy: -70.914690
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -227.172077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.172077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.172077 (E_RNA)
where:
Base-Base interactions energy: -157.313
where: short stacking energy: -62.414
Base-Backbone interact. energy: -0.183
local terms energy: -69.675577
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -190.740223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.740223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.740223 (E_RNA)
where:
Base-Base interactions energy: -126.329
where: short stacking energy: -58.296
Base-Backbone interact. energy: -0.854
local terms energy: -63.557644
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -13.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -192.903016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.903016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.903016 (E_RNA)
where:
Base-Base interactions energy: -122.958
where: short stacking energy: -57.055
Base-Backbone interact. energy: 0.310
local terms energy: -70.255376
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -204.019529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.019529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.019529 (E_RNA)
where:
Base-Base interactions energy: -128.642
where: short stacking energy: -70.083
Base-Backbone interact. energy: -0.048
local terms energy: -75.328750
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -18.760
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: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -142.285750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.285750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.285750 (E_RNA)
where:
Base-Base interactions energy: -87.669
where: short stacking energy: -46.439
Base-Backbone interact. energy: -0.130
local terms energy: -54.487391
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -9.544
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: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -90.991780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.991780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.991780 (E_RNA)
where:
Base-Base interactions energy: -34.354
where: short stacking energy: -34.354
Base-Backbone interact. energy: -0.168
local terms energy: -56.469673
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -93.746451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.746451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.746451 (E_RNA)
where:
Base-Base interactions energy: -51.338
where: short stacking energy: -25.516
Base-Backbone interact. energy: 0.538
local terms energy: -42.946851
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: 1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -114.561435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.561435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.561435 (E_RNA)
where:
Base-Base interactions energy: -66.621
where: short stacking energy: -33.136
Base-Backbone interact. energy: -0.406
local terms energy: -47.535270
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -7.330
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -85.774306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.774306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.774306 (E_RNA)
where:
Base-Base interactions energy: -42.324
where: short stacking energy: -31.703
Base-Backbone interact. energy: -0.179
local terms energy: -43.270958
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -6.677
flat angles P-C4'-P energy: -1.103
tors. eta vs tors. theta energy: -5.745
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: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -228.265237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.265237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.265237 (E_RNA)
where:
Base-Base interactions energy: -156.819
where: short stacking energy: -68.805
Base-Backbone interact. energy: -0.196
local terms energy: -71.250707
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -14.697
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: 208
Temperature: 0.950000
Total energy: -223.609661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.609661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.609661 (E_RNA)
where:
Base-Base interactions energy: -154.456
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.350
local terms energy: -68.803395
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -187.186822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.186822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.186822 (E_RNA)
where:
Base-Base interactions energy: -121.070
where: short stacking energy: -61.175
Base-Backbone interact. energy: -0.172
local terms energy: -65.945169
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -16.946
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: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -195.011065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.011065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.011065 (E_RNA)
where:
Base-Base interactions energy: -120.508
where: short stacking energy: -43.609
Base-Backbone interact. energy: -0.115
local terms energy: -74.388878
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -200.702920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.702920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.702920 (E_RNA)
where:
Base-Base interactions energy: -127.086
where: short stacking energy: -66.113
Base-Backbone interact. energy: -0.142
local terms energy: -73.474891
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -16.136
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: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -129.671915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.671915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.671915 (E_RNA)
where:
Base-Base interactions energy: -75.941
where: short stacking energy: -39.496
Base-Backbone interact. energy: -0.392
local terms energy: -53.339091
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -96.714223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.714223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.714223 (E_RNA)
where:
Base-Base interactions energy: -47.747
where: short stacking energy: -21.113
Base-Backbone interact. energy: 0.783
local terms energy: -49.750320
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -87.980155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.980155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.980155 (E_RNA)
where:
Base-Base interactions energy: -28.284
where: short stacking energy: -28.295
Base-Backbone interact. energy: -0.511
local terms energy: -59.185489
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -83.356678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.356678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.356678 (E_RNA)
where:
Base-Base interactions energy: -44.173
where: short stacking energy: -23.031
Base-Backbone interact. energy: 0.898
local terms energy: -40.081323
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -3.427
tors. eta vs tors. theta energy: 0.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -117.296187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.296187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.296187 (E_RNA)
where:
Base-Base interactions energy: -70.105
where: short stacking energy: -37.940
Base-Backbone interact. energy: 0.343
local terms energy: -47.534838
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -226.169629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.169629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.169629 (E_RNA)
where:
Base-Base interactions energy: -155.854
where: short stacking energy: -64.702
Base-Backbone interact. energy: -0.569
local terms energy: -69.746247
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -224.394739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.394739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.394739 (E_RNA)
where:
Base-Base interactions energy: -147.122
where: short stacking energy: -54.781
Base-Backbone interact. energy: -0.421
local terms energy: -76.851205
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -190.122115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.122115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.122115 (E_RNA)
where:
Base-Base interactions energy: -120.439
where: short stacking energy: -55.924
Base-Backbone interact. energy: -0.916
local terms energy: -68.766305
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -202.354812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.354812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.354812 (E_RNA)
where:
Base-Base interactions energy: -142.505
where: short stacking energy: -69.339
Base-Backbone interact. energy: -0.114
local terms energy: -59.735874
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -4.913
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -196.277644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.277644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.277644 (E_RNA)
where:
Base-Base interactions energy: -127.777
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.010
local terms energy: -68.490480
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -153.502597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.502597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.502597 (E_RNA)
where:
Base-Base interactions energy: -91.051
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.341
local terms energy: -62.110051
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -97.732778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.732778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.732778 (E_RNA)
where:
Base-Base interactions energy: -36.729
where: short stacking energy: -36.708
Base-Backbone interact. energy: -0.306
local terms energy: -60.698394
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -90.420768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.420768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.420768 (E_RNA)
where:
Base-Base interactions energy: -37.669
where: short stacking energy: -36.183
Base-Backbone interact. energy: -0.036
local terms energy: -52.716266
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -6.362
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: 209
Temperature: 1.300000
Total energy: -97.608287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.608287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.608287 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -32.808
Base-Backbone interact. energy: -0.399
local terms energy: -52.690673
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -77.974482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.974482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.974482 (E_RNA)
where:
Base-Base interactions energy: -23.976
where: short stacking energy: -22.104
Base-Backbone interact. energy: -0.803
local terms energy: -53.195449
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -235.643439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.643439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.643439 (E_RNA)
where:
Base-Base interactions energy: -160.650
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.206
local terms energy: -74.787497
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -17.121
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: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -226.513393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.513393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.513393 (E_RNA)
where:
Base-Base interactions energy: -156.629
where: short stacking energy: -69.833
Base-Backbone interact. energy: -0.165
local terms energy: -69.719592
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -210.547505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.547505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.547505 (E_RNA)
where:
Base-Base interactions energy: -143.340
where: short stacking energy: -64.949
Base-Backbone interact. energy: -0.094
local terms energy: -67.114143
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -187.055060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.055060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.055060 (E_RNA)
where:
Base-Base interactions energy: -115.897
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.078
local terms energy: -71.079966
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -181.102702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.102702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.102702 (E_RNA)
where:
Base-Base interactions energy: -112.174
where: short stacking energy: -52.188
Base-Backbone interact. energy: 0.175
local terms energy: -69.103061
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.442
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: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -157.146217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.146217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.146217 (E_RNA)
where:
Base-Base interactions energy: -96.660
where: short stacking energy: -52.627
Base-Backbone interact. energy: -0.069
local terms energy: -60.416919
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -13.480
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: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -87.862285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.862285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.862285 (E_RNA)
where:
Base-Base interactions energy: -37.689
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.132
local terms energy: -50.040992
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -86.873578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.873578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.873578 (E_RNA)
where:
Base-Base interactions energy: -21.903
where: short stacking energy: -18.527
Base-Backbone interact. energy: -0.019
local terms energy: -64.951386
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -94.110540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.110540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.110540 (E_RNA)
where:
Base-Base interactions energy: -42.176
where: short stacking energy: -37.277
Base-Backbone interact. energy: -0.539
local terms energy: -51.395354
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -8.403
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -5.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -74.684190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.684190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.684190 (E_RNA)
where:
Base-Base interactions energy: -34.360
where: short stacking energy: -19.848
Base-Backbone interact. energy: -0.613
local terms energy: -39.711076
where:
bonds (distance) C4'-P energy: -7.392
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -8.411
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: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -222.226387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.226387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.226387 (E_RNA)
where:
Base-Base interactions energy: -147.775
where: short stacking energy: -61.757
Base-Backbone interact. energy: -0.278
local terms energy: -74.172600
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -16.716
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: 211
Temperature: 0.950000
Total energy: -222.984565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.984565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.984565 (E_RNA)
where:
Base-Base interactions energy: -146.524
where: short stacking energy: -73.670
Base-Backbone interact. energy: -0.661
local terms energy: -75.799688
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -217.201711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.201711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.201711 (E_RNA)
where:
Base-Base interactions energy: -159.562
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.237
local terms energy: -57.402189
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -13.716
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: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -188.934030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.934030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.934030 (E_RNA)
where:
Base-Base interactions energy: -124.801
where: short stacking energy: -56.305
Base-Backbone interact. energy: 0.214
local terms energy: -64.347109
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -13.212
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: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -196.090992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.090992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.090992 (E_RNA)
where:
Base-Base interactions energy: -126.993
where: short stacking energy: -67.757
Base-Backbone interact. energy: -0.085
local terms energy: -69.013433
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -7.552
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: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -167.257066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.257066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.257066 (E_RNA)
where:
Base-Base interactions energy: -101.466
where: short stacking energy: -59.256
Base-Backbone interact. energy: -0.010
local terms energy: -65.781582
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -97.902117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.902117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.902117 (E_RNA)
where:
Base-Base interactions energy: -34.561
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.014
local terms energy: -63.326434
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -9.175
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: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -85.300972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.300972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.300972 (E_RNA)
where:
Base-Base interactions energy: -34.979
where: short stacking energy: -32.654
Base-Backbone interact. energy: -0.044
local terms energy: -50.277932
where:
bonds (distance) C4'-P energy: -8.272
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -5.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -78.863014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.863014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.863014 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -28.278
Base-Backbone interact. energy: -0.070
local terms energy: -49.015893
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -74.343946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.343946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.343946 (E_RNA)
where:
Base-Base interactions energy: -28.776
where: short stacking energy: -25.834
Base-Backbone interact. energy: 2.594
local terms energy: -48.161897
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -221.927101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.927101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.927101 (E_RNA)
where:
Base-Base interactions energy: -150.151
where: short stacking energy: -69.153
Base-Backbone interact. energy: -0.259
local terms energy: -71.517590
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -232.085143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.085143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.085143 (E_RNA)
where:
Base-Base interactions energy: -165.604
where: short stacking energy: -67.871
Base-Backbone interact. energy: -0.551
local terms energy: -65.930772
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -16.529
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: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -216.165352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.165352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.165352 (E_RNA)
where:
Base-Base interactions energy: -155.996
where: short stacking energy: -57.089
Base-Backbone interact. energy: -0.279
local terms energy: -59.890724
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -179.648516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.648516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.648516 (E_RNA)
where:
Base-Base interactions energy: -106.961
where: short stacking energy: -53.293
Base-Backbone interact. energy: 0.106
local terms energy: -72.793295
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -146.650523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.650523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.650523 (E_RNA)
where:
Base-Base interactions energy: -95.848
where: short stacking energy: -45.912
Base-Backbone interact. energy: -0.045
local terms energy: -50.757802
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -6.716
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: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -177.194229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.194229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.194229 (E_RNA)
where:
Base-Base interactions energy: -120.723
where: short stacking energy: -58.213
Base-Backbone interact. energy: -0.092
local terms energy: -56.378745
where:
bonds (distance) C4'-P energy: -7.794
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -86.983428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.983428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.983428 (E_RNA)
where:
Base-Base interactions energy: -41.722
where: short stacking energy: -32.342
Base-Backbone interact. energy: 2.735
local terms energy: -47.996098
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -95.841539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.841539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.841539 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -40.294
Base-Backbone interact. energy: -0.062
local terms energy: -55.485065
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -82.139617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.139617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.139617 (E_RNA)
where:
Base-Base interactions energy: -32.805
where: short stacking energy: -32.805
Base-Backbone interact. energy: -0.062
local terms energy: -49.271814
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -73.171679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.171679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.171679 (E_RNA)
where:
Base-Base interactions energy: -17.345
where: short stacking energy: -17.345
Base-Backbone interact. energy: -0.106
local terms energy: -55.720966
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -1.887
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: 213
Temperature: 0.900000
Total energy: -225.082886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.082886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.082886 (E_RNA)
where:
Base-Base interactions energy: -149.975
where: short stacking energy: -75.185
Base-Backbone interact. energy: -0.045
local terms energy: -75.062635
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -10.676
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: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -219.349350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.349350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.349350 (E_RNA)
where:
Base-Base interactions energy: -160.031
where: short stacking energy: -57.384
Base-Backbone interact. energy: -0.695
local terms energy: -58.623826
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -221.751140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.751140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.751140 (E_RNA)
where:
Base-Base interactions energy: -149.011
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.331
local terms energy: -72.408853
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -9.695
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: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -187.189574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.189574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.189574 (E_RNA)
where:
Base-Base interactions energy: -121.701
where: short stacking energy: -56.468
Base-Backbone interact. energy: -0.017
local terms energy: -65.471557
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -135.753874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.753874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.753874 (E_RNA)
where:
Base-Base interactions energy: -79.805
where: short stacking energy: -32.706
Base-Backbone interact. energy: -0.180
local terms energy: -55.768135
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -190.255358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.255358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.255358 (E_RNA)
where:
Base-Base interactions energy: -124.591
where: short stacking energy: -59.730
Base-Backbone interact. energy: -0.428
local terms energy: -65.235513
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -92.678678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.678678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.678678 (E_RNA)
where:
Base-Base interactions energy: -39.415
where: short stacking energy: -36.674
Base-Backbone interact. energy: -0.295
local terms energy: -52.968622
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -2.132
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: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -92.373014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.373014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.373014 (E_RNA)
where:
Base-Base interactions energy: -36.757
where: short stacking energy: -25.391
Base-Backbone interact. energy: 1.064
local terms energy: -56.679967
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -8.457
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -78.601779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.601779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.601779 (E_RNA)
where:
Base-Base interactions energy: -20.865
where: short stacking energy: -20.865
Base-Backbone interact. energy: -0.017
local terms energy: -57.719644
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -72.456436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.456436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.456436 (E_RNA)
where:
Base-Base interactions energy: -25.504
where: short stacking energy: -9.541
Base-Backbone interact. energy: -0.985
local terms energy: -45.967825
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: 1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -221.331404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.331404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.331404 (E_RNA)
where:
Base-Base interactions energy: -140.729
where: short stacking energy: -66.486
Base-Backbone interact. energy: -0.666
local terms energy: -79.936426
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -222.507253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.507253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.507253 (E_RNA)
where:
Base-Base interactions energy: -158.898
where: short stacking energy: -57.013
Base-Backbone interact. energy: 0.190
local terms energy: -63.798995
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -214.307574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.307574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.307574 (E_RNA)
where:
Base-Base interactions energy: -150.474
where: short stacking energy: -51.066
Base-Backbone interact. energy: -0.850
local terms energy: -62.983675
where:
bonds (distance) C4'-P energy: -8.901
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -8.084
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: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -184.055206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.055206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.055206 (E_RNA)
where:
Base-Base interactions energy: -122.268
where: short stacking energy: -60.959
Base-Backbone interact. energy: -0.102
local terms energy: -61.685975
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -181.888175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.888175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.888175 (E_RNA)
where:
Base-Base interactions energy: -113.099
where: short stacking energy: -49.361
Base-Backbone interact. energy: 0.814
local terms energy: -69.602446
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -134.715504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.715504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.715504 (E_RNA)
where:
Base-Base interactions energy: -77.968
where: short stacking energy: -44.934
Base-Backbone interact. energy: -1.231
local terms energy: -55.516992
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -106.771457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.771457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.771457 (E_RNA)
where:
Base-Base interactions energy: -54.744
where: short stacking energy: -35.552
Base-Backbone interact. energy: -0.063
local terms energy: -51.964593
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -7.293
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: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -93.379658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.379658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.379658 (E_RNA)
where:
Base-Base interactions energy: -39.644
where: short stacking energy: -39.644
Base-Backbone interact. energy: -0.081
local terms energy: -53.654247
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -6.422
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: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -89.688965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.688965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.688965 (E_RNA)
where:
Base-Base interactions energy: -40.333
where: short stacking energy: -23.557
Base-Backbone interact. energy: -0.004
local terms energy: -49.352161
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -107.128166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.128166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.128166 (E_RNA)
where:
Base-Base interactions energy: -61.598
where: short stacking energy: -31.264
Base-Backbone interact. energy: -0.057
local terms energy: -45.472518
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -222.794586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.794586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.794586 (E_RNA)
where:
Base-Base interactions energy: -146.047
where: short stacking energy: -73.249
Base-Backbone interact. energy: -0.524
local terms energy: -76.223084
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -11.278
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: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -216.410695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.410695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.410695 (E_RNA)
where:
Base-Base interactions energy: -149.369
where: short stacking energy: -57.065
Base-Backbone interact. energy: -0.298
local terms energy: -66.743867
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -8.214
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: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -219.816850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.816850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.816850 (E_RNA)
where:
Base-Base interactions energy: -159.489
where: short stacking energy: -61.402
Base-Backbone interact. energy: -0.092
local terms energy: -60.236243
where:
bonds (distance) C4'-P energy: -7.457
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -8.605
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: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -195.631955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.631955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.631955 (E_RNA)
where:
Base-Base interactions energy: -129.635
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.029
local terms energy: -65.968058
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -11.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -187.792713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.792713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.792713 (E_RNA)
where:
Base-Base interactions energy: -121.384
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.105
local terms energy: -66.303786
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -16.782
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: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -121.235486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.235486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.235486 (E_RNA)
where:
Base-Base interactions energy: -56.917
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.022
local terms energy: -64.295766
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -137.371201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.371201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.371201 (E_RNA)
where:
Base-Base interactions energy: -79.143
where: short stacking energy: -41.730
Base-Backbone interact. energy: 0.691
local terms energy: -58.919025
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -77.932302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.932302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.932302 (E_RNA)
where:
Base-Base interactions energy: -25.798
where: short stacking energy: -25.459
Base-Backbone interact. energy: -0.224
local terms energy: -51.909956
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -3.655
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: 215
Temperature: 1.300000
Total energy: -98.177765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.177765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.177765 (E_RNA)
where:
Base-Base interactions energy: -48.096
where: short stacking energy: -26.754
Base-Backbone interact. energy: 1.882
local terms energy: -51.963747
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -80.738308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.738308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.738308 (E_RNA)
where:
Base-Base interactions energy: -34.545
where: short stacking energy: -18.300
Base-Backbone interact. energy: -0.070
local terms energy: -46.123541
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -4.626
tors. eta vs tors. theta energy: -1.943
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: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -218.724027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.724027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.724027 (E_RNA)
where:
Base-Base interactions energy: -146.503
where: short stacking energy: -69.335
Base-Backbone interact. energy: -0.318
local terms energy: -71.903143
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -9.881
flat angles P-C4'-P energy: -13.123
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: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -225.521028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.521028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.521028 (E_RNA)
where:
Base-Base interactions energy: -159.086
where: short stacking energy: -65.119
Base-Backbone interact. energy: -0.367
local terms energy: -66.068005
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -210.665558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.665558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.665558 (E_RNA)
where:
Base-Base interactions energy: -150.293
where: short stacking energy: -61.252
Base-Backbone interact. energy: 0.277
local terms energy: -60.649316
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -201.990586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.990586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.990586 (E_RNA)
where:
Base-Base interactions energy: -139.583
where: short stacking energy: -62.585
Base-Backbone interact. energy: -0.016
local terms energy: -62.392209
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -186.658684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.658684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.658684 (E_RNA)
where:
Base-Base interactions energy: -124.075
where: short stacking energy: -63.388
Base-Backbone interact. energy: -0.002
local terms energy: -62.581089
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -105.193447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.193447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.193447 (E_RNA)
where:
Base-Base interactions energy: -47.107
where: short stacking energy: -46.192
Base-Backbone interact. energy: -0.085
local terms energy: -58.001640
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -145.442776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.442776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.442776 (E_RNA)
where:
Base-Base interactions energy: -84.242
where: short stacking energy: -40.713
Base-Backbone interact. energy: -0.107
local terms energy: -61.093640
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -97.337961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.337961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.337961 (E_RNA)
where:
Base-Base interactions energy: -42.979
where: short stacking energy: -28.005
Base-Backbone interact. energy: -0.010
local terms energy: -54.348276
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -11.851
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: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -87.674729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.674729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.674729 (E_RNA)
where:
Base-Base interactions energy: -39.204
where: short stacking energy: -28.931
Base-Backbone interact. energy: -0.199
local terms energy: -48.271166
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -6.491
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: 216
Temperature: 1.350000
Total energy: -81.919821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.919821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.919821 (E_RNA)
where:
Base-Base interactions energy: -41.810
where: short stacking energy: -26.342
Base-Backbone interact. energy: -0.376
local terms energy: -39.733454
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -9.286
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -227.592801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.592801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.592801 (E_RNA)
where:
Base-Base interactions energy: -144.137
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.001
local terms energy: -83.455525
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -218.729572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.729572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.729572 (E_RNA)
where:
Base-Base interactions energy: -152.266
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.246
local terms energy: -66.218334
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -213.610370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.610370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.610370 (E_RNA)
where:
Base-Base interactions energy: -150.753
where: short stacking energy: -58.760
Base-Backbone interact. energy: 1.422
local terms energy: -64.279001
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -11.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -182.567163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.567163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.567163 (E_RNA)
where:
Base-Base interactions energy: -121.968
where: short stacking energy: -61.385
Base-Backbone interact. energy: 0.562
local terms energy: -61.160553
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -16.119
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: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -178.699824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.699824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.699824 (E_RNA)
where:
Base-Base interactions energy: -112.287
where: short stacking energy: -52.570
Base-Backbone interact. energy: 1.058
local terms energy: -67.470666
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -14.027
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: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -142.897648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.897648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.897648 (E_RNA)
where:
Base-Base interactions energy: -78.669
where: short stacking energy: -42.580
Base-Backbone interact. energy: -0.222
local terms energy: -64.006578
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -8.225
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: 217
Temperature: 1.200000
Total energy: -102.753530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.753530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.753530 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -37.710
Base-Backbone interact. energy: 0.309
local terms energy: -64.191236
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -11.075
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: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -84.999251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.999251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.999251 (E_RNA)
where:
Base-Base interactions energy: -33.629
where: short stacking energy: -33.629
Base-Backbone interact. energy: -0.007
local terms energy: -51.363929
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -5.318
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: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -81.470554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.470554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.470554 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -27.861
Base-Backbone interact. energy: -0.673
local terms energy: -39.773409
where:
bonds (distance) C4'-P energy: -7.346
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -7.695
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -96.314467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.314467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.314467 (E_RNA)
where:
Base-Base interactions energy: -43.172
where: short stacking energy: -33.374
Base-Backbone interact. energy: -0.072
local terms energy: -53.070744
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -231.391227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.391227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.391227 (E_RNA)
where:
Base-Base interactions energy: -158.193
where: short stacking energy: -71.251
Base-Backbone interact. energy: -0.002
local terms energy: -73.197091
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -219.084906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.084906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.084906 (E_RNA)
where:
Base-Base interactions energy: -157.623
where: short stacking energy: -59.342
Base-Backbone interact. energy: -0.749
local terms energy: -60.713148
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -11.222
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: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -210.456217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.456217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.456217 (E_RNA)
where:
Base-Base interactions energy: -136.760
where: short stacking energy: -62.434
Base-Backbone interact. energy: 0.286
local terms energy: -73.982179
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -178.587702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.587702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.587702 (E_RNA)
where:
Base-Base interactions energy: -120.869
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.001
local terms energy: -57.717730
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -182.008721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.008721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.008721 (E_RNA)
where:
Base-Base interactions energy: -121.817
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.002
local terms energy: -60.189984
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -141.903770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.903770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.903770 (E_RNA)
where:
Base-Base interactions energy: -77.249
where: short stacking energy: -49.711
Base-Backbone interact. energy: -0.794
local terms energy: -63.860783
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -10.033
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -87.813819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.813819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.813819 (E_RNA)
where:
Base-Base interactions energy: -35.559
where: short stacking energy: -32.639
Base-Backbone interact. energy: -0.124
local terms energy: -52.130829
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -91.679360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.679360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.679360 (E_RNA)
where:
Base-Base interactions energy: -31.602
where: short stacking energy: -21.602
Base-Backbone interact. energy: -0.201
local terms energy: -59.877009
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -6.659
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: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -110.198578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.198578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.198578 (E_RNA)
where:
Base-Base interactions energy: -55.206
where: short stacking energy: -34.411
Base-Backbone interact. energy: -0.125
local terms energy: -54.868176
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -77.668359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.668359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.668359 (E_RNA)
where:
Base-Base interactions energy: -29.344
where: short stacking energy: -29.344
Base-Backbone interact. energy: 1.077
local terms energy: -49.401519
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -2.705
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -219.639111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.639111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.639111 (E_RNA)
where:
Base-Base interactions energy: -143.620
where: short stacking energy: -72.421
Base-Backbone interact. energy: -0.261
local terms energy: -75.758046
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -220.918310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.918310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.918310 (E_RNA)
where:
Base-Base interactions energy: -142.591
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.649
local terms energy: -77.678421
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -218.259025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.259025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.259025 (E_RNA)
where:
Base-Base interactions energy: -155.246
where: short stacking energy: -62.105
Base-Backbone interact. energy: -0.048
local terms energy: -62.965135
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -11.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -187.047747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.047747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.047747 (E_RNA)
where:
Base-Base interactions energy: -126.354
where: short stacking energy: -62.381
Base-Backbone interact. energy: -0.124
local terms energy: -60.569873
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -181.295733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.295733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.295733 (E_RNA)
where:
Base-Base interactions energy: -117.126
where: short stacking energy: -50.038
Base-Backbone interact. energy: 0.669
local terms energy: -64.838274
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -150.297880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.297880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.297880 (E_RNA)
where:
Base-Base interactions energy: -84.516
where: short stacking energy: -43.252
Base-Backbone interact. energy: -0.167
local terms energy: -65.615805
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -12.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -131.003445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.003445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.003445 (E_RNA)
where:
Base-Base interactions energy: -78.380
where: short stacking energy: -41.072
Base-Backbone interact. energy: 0.380
local terms energy: -53.003275
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -128.900969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.900969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.900969 (E_RNA)
where:
Base-Base interactions energy: -76.110
where: short stacking energy: -34.386
Base-Backbone interact. energy: -0.761
local terms energy: -52.030574
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -77.045105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.045105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.045105 (E_RNA)
where:
Base-Base interactions energy: -30.845
where: short stacking energy: -30.845
Base-Backbone interact. energy: -0.048
local terms energy: -46.152251
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -4.574
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: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -84.401771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.401771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.401771 (E_RNA)
where:
Base-Base interactions energy: -34.623
where: short stacking energy: -34.623
Base-Backbone interact. energy: -1.255
local terms energy: -48.523565
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -220.801359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.801359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.801359 (E_RNA)
where:
Base-Base interactions energy: -153.283
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.550
local terms energy: -66.968762
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -216.922812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.922812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.922812 (E_RNA)
where:
Base-Base interactions energy: -141.481
where: short stacking energy: -67.470
Base-Backbone interact. energy: -0.198
local terms energy: -75.243406
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -10.415
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: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -208.263839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.263839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.263839 (E_RNA)
where:
Base-Base interactions energy: -139.206
where: short stacking energy: -61.439
Base-Backbone interact. energy: -0.155
local terms energy: -68.902885
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -190.115118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.115118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.115118 (E_RNA)
where:
Base-Base interactions energy: -129.223
where: short stacking energy: -54.046
Base-Backbone interact. energy: -0.126
local terms energy: -60.766247
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -192.540193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.540193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.540193 (E_RNA)
where:
Base-Base interactions energy: -127.218
where: short stacking energy: -65.121
Base-Backbone interact. energy: -0.220
local terms energy: -65.101737
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -9.476
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: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -174.710927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.710927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.710927 (E_RNA)
where:
Base-Base interactions energy: -115.870
where: short stacking energy: -54.773
Base-Backbone interact. energy: 0.101
local terms energy: -58.941444
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -13.138
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: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -138.147074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.147074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.147074 (E_RNA)
where:
Base-Base interactions energy: -73.029
where: short stacking energy: -48.605
Base-Backbone interact. energy: 0.235
local terms energy: -65.352958
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -146.357547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.357547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.357547 (E_RNA)
where:
Base-Base interactions energy: -93.115
where: short stacking energy: -40.526
Base-Backbone interact. energy: 0.070
local terms energy: -53.311937
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -75.604860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.604860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.604860 (E_RNA)
where:
Base-Base interactions energy: -32.715
where: short stacking energy: -28.084
Base-Backbone interact. energy: -0.091
local terms energy: -42.798924
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -6.583
flat angles P-C4'-P energy: -6.643
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: 10, replica: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -67.641659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.641659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.641659 (E_RNA)
where:
Base-Base interactions energy: -17.345
where: short stacking energy: -15.192
Base-Backbone interact. energy: -0.302
local terms energy: -49.994424
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: 3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -218.131595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.131595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.131595 (E_RNA)
where:
Base-Base interactions energy: -141.964
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.347
local terms energy: -75.820565
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -215.831244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.831244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.831244 (E_RNA)
where:
Base-Base interactions energy: -149.216
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.229
local terms energy: -66.386918
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -221.653019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.653019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.653019 (E_RNA)
where:
Base-Base interactions energy: -148.814
where: short stacking energy: -72.386
Base-Backbone interact. energy: -0.122
local terms energy: -72.716943
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -182.604629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.604629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.604629 (E_RNA)
where:
Base-Base interactions energy: -119.637
where: short stacking energy: -41.414
Base-Backbone interact. energy: -0.090
local terms energy: -62.877778
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -186.301206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.301206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.301206 (E_RNA)
where:
Base-Base interactions energy: -132.552
where: short stacking energy: -44.665
Base-Backbone interact. energy: -0.222
local terms energy: -53.528101
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -167.192293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.192293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.192293 (E_RNA)
where:
Base-Base interactions energy: -106.069
where: short stacking energy: -56.748
Base-Backbone interact. energy: -0.117
local terms energy: -61.006812
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -10.154
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: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -153.374080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.374080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.374080 (E_RNA)
where:
Base-Base interactions energy: -103.756
where: short stacking energy: -44.567
Base-Backbone interact. energy: -0.232
local terms energy: -49.386123
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -102.638807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.638807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.638807 (E_RNA)
where:
Base-Base interactions energy: -48.232
where: short stacking energy: -38.488
Base-Backbone interact. energy: 0.227
local terms energy: -54.633770
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -103.635127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.635127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.635127 (E_RNA)
where:
Base-Base interactions energy: -54.707
where: short stacking energy: -32.548
Base-Backbone interact. energy: 0.596
local terms energy: -49.524515
where:
bonds (distance) C4'-P energy: -6.902
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -9.670
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: 10, replica: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -76.438153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.438153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.438153 (E_RNA)
where:
Base-Base interactions energy: -40.134
where: short stacking energy: -22.771
Base-Backbone interact. energy: -0.014
local terms energy: -36.289584
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -219.722704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.722704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.722704 (E_RNA)
where:
Base-Base interactions energy: -146.793
where: short stacking energy: -55.640
Base-Backbone interact. energy: 0.002
local terms energy: -72.931092
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -204.211384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.211384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.211384 (E_RNA)
where:
Base-Base interactions energy: -136.676
where: short stacking energy: -54.543
Base-Backbone interact. energy: 0.375
local terms energy: -67.910658
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -221.758645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.758645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.758645 (E_RNA)
where:
Base-Base interactions energy: -142.105
where: short stacking energy: -72.102
Base-Backbone interact. energy: -0.001
local terms energy: -79.652704
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -11.478
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: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -189.048121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.048121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.048121 (E_RNA)
where:
Base-Base interactions energy: -123.712
where: short stacking energy: -54.610
Base-Backbone interact. energy: 0.629
local terms energy: -65.965193
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -11.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -184.147117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.147117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.147117 (E_RNA)
where:
Base-Base interactions energy: -117.824
where: short stacking energy: -53.895
Base-Backbone interact. energy: -0.140
local terms energy: -66.183169
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -154.017108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.017108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.017108 (E_RNA)
where:
Base-Base interactions energy: -96.747
where: short stacking energy: -53.726
Base-Backbone interact. energy: -0.036
local terms energy: -57.233856
where:
bonds (distance) C4'-P energy: -6.698
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -175.211536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.211536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.211536 (E_RNA)
where:
Base-Base interactions energy: -112.346
where: short stacking energy: -48.830
Base-Backbone interact. energy: -0.110
local terms energy: -62.755411
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -84.463898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.463898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.463898 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -34.643
Base-Backbone interact. energy: -0.015
local terms energy: -49.620712
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -8.160
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -4.277
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: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -87.490939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.490939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.490939 (E_RNA)
where:
Base-Base interactions energy: -38.213
where: short stacking energy: -15.760
Base-Backbone interact. energy: -0.255
local terms energy: -49.022259
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -0.469
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: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -75.088718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.088718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.088718 (E_RNA)
where:
Base-Base interactions energy: -23.606
where: short stacking energy: -18.460
Base-Backbone interact. energy: -0.787
local terms energy: -50.695959
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: 1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -215.371860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.371860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.371860 (E_RNA)
where:
Base-Base interactions energy: -149.662
where: short stacking energy: -51.930
Base-Backbone interact. energy: 1.851
local terms energy: -67.560324
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -8.538
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: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -224.813177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.813177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.813177 (E_RNA)
where:
Base-Base interactions energy: -152.711
where: short stacking energy: -70.216
Base-Backbone interact. energy: -0.004
local terms energy: -72.097542
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -5.952
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: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -207.493650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.493650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.493650 (E_RNA)
where:
Base-Base interactions energy: -142.579
where: short stacking energy: -71.572
Base-Backbone interact. energy: -0.500
local terms energy: -64.415208
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -178.926778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.926778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.926778 (E_RNA)
where:
Base-Base interactions energy: -114.123
where: short stacking energy: -62.100
Base-Backbone interact. energy: 0.440
local terms energy: -65.244211
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -190.410333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.410333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.410333 (E_RNA)
where:
Base-Base interactions energy: -127.279
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.227
local terms energy: -62.904172
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -14.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -173.991062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.991062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.991062 (E_RNA)
where:
Base-Base interactions energy: -114.403
where: short stacking energy: -54.699
Base-Backbone interact. energy: -0.418
local terms energy: -59.169889
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -148.954969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.954969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.954969 (E_RNA)
where:
Base-Base interactions energy: -86.571
where: short stacking energy: -44.117
Base-Backbone interact. energy: -0.792
local terms energy: -61.592323
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -10.235
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: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -86.271882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.271882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.271882 (E_RNA)
where:
Base-Base interactions energy: -37.750
where: short stacking energy: -27.357
Base-Backbone interact. energy: -0.254
local terms energy: -48.267494
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -91.436556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.436556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.436556 (E_RNA)
where:
Base-Base interactions energy: -31.049
where: short stacking energy: -29.650
Base-Backbone interact. energy: -0.123
local terms energy: -60.264429
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -8.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -76.627701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.627701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.627701 (E_RNA)
where:
Base-Base interactions energy: -30.257
where: short stacking energy: -29.598
Base-Backbone interact. energy: -0.128
local terms energy: -46.242133
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -0.804
tors. eta vs tors. theta energy: -4.368
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: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -224.800380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.800380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.800380 (E_RNA)
where:
Base-Base interactions energy: -146.382
where: short stacking energy: -73.768
Base-Backbone interact. energy: -0.021
local terms energy: -78.398141
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.856
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: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -220.183080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.183080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.183080 (E_RNA)
where:
Base-Base interactions energy: -153.648
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.349
local terms energy: -66.185665
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -210.572875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.572875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.572875 (E_RNA)
where:
Base-Base interactions energy: -143.732
where: short stacking energy: -64.954
Base-Backbone interact. energy: -0.398
local terms energy: -66.443462
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -181.957963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.957963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.957963 (E_RNA)
where:
Base-Base interactions energy: -111.432
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.012
local terms energy: -70.514138
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -189.997673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.997673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.997673 (E_RNA)
where:
Base-Base interactions energy: -122.441
where: short stacking energy: -57.895
Base-Backbone interact. energy: -0.118
local terms energy: -67.439015
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -16.513
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: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -181.935827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.935827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.935827 (E_RNA)
where:
Base-Base interactions energy: -116.718
where: short stacking energy: -53.213
Base-Backbone interact. energy: -0.089
local terms energy: -65.128148
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -11.023
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: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -119.378879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.378879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.378879 (E_RNA)
where:
Base-Base interactions energy: -78.211
where: short stacking energy: -29.075
Base-Backbone interact. energy: -0.603
local terms energy: -40.565111
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: 2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -84.406000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.406000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.406000 (E_RNA)
where:
Base-Base interactions energy: -33.546
where: short stacking energy: -33.546
Base-Backbone interact. energy: -0.427
local terms energy: -50.432569
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -89.580746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.580746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.580746 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -36.014
Base-Backbone interact. energy: -0.013
local terms energy: -49.644488
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -82.777840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.777840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.777840 (E_RNA)
where:
Base-Base interactions energy: -29.961
where: short stacking energy: -29.961
Base-Backbone interact. energy: -0.164
local terms energy: -52.652363
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -11.702
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -3.767
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: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -220.376427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.376427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.376427 (E_RNA)
where:
Base-Base interactions energy: -141.935
where: short stacking energy: -69.119
Base-Backbone interact. energy: -0.001
local terms energy: -78.440629
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -215.393595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.393595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.393595 (E_RNA)
where:
Base-Base interactions energy: -147.364
where: short stacking energy: -52.600
Base-Backbone interact. energy: -0.716
local terms energy: -67.313895
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -9.158
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: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -213.527146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.527146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.527146 (E_RNA)
where:
Base-Base interactions energy: -141.415
where: short stacking energy: -57.507
Base-Backbone interact. energy: -0.439
local terms energy: -71.673008
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -185.762127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.762127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.762127 (E_RNA)
where:
Base-Base interactions energy: -118.476
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.131
local terms energy: -67.154678
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -180.342053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.342053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.342053 (E_RNA)
where:
Base-Base interactions energy: -127.168
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.091
local terms energy: -53.083092
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -10.435
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: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -177.571502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.571502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.571502 (E_RNA)
where:
Base-Base interactions energy: -115.293
where: short stacking energy: -51.374
Base-Backbone interact. energy: -0.024
local terms energy: -62.254847
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -126.074035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.074035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.074035 (E_RNA)
where:
Base-Base interactions energy: -79.232
where: short stacking energy: -32.098
Base-Backbone interact. energy: -0.365
local terms energy: -46.477156
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -78.635038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.635038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.635038 (E_RNA)
where:
Base-Base interactions energy: -31.642
where: short stacking energy: -27.651
Base-Backbone interact. energy: -0.165
local terms energy: -46.827839
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: 2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -77.701112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.701112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.701112 (E_RNA)
where:
Base-Base interactions energy: -33.001
where: short stacking energy: -27.358
Base-Backbone interact. energy: -0.355
local terms energy: -44.345791
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -4.267
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -2.609
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: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -86.887349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.887349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.887349 (E_RNA)
where:
Base-Base interactions energy: -34.033
where: short stacking energy: -33.255
Base-Backbone interact. energy: -0.293
local terms energy: -52.561562
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -216.639171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.639171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.639171 (E_RNA)
where:
Base-Base interactions energy: -151.074
where: short stacking energy: -58.688
Base-Backbone interact. energy: -0.040
local terms energy: -65.525236
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -221.699642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.699642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.699642 (E_RNA)
where:
Base-Base interactions energy: -146.557
where: short stacking energy: -74.134
Base-Backbone interact. energy: -0.033
local terms energy: -75.109085
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -212.002857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.002857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.002857 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -65.890
Base-Backbone interact. energy: -0.196
local terms energy: -70.805199
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -12.681
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: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -192.278059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.278059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.278059 (E_RNA)
where:
Base-Base interactions energy: -127.447
where: short stacking energy: -54.205
Base-Backbone interact. energy: -0.057
local terms energy: -64.774867
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -14.060
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: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -175.809697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.809697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.809697 (E_RNA)
where:
Base-Base interactions energy: -114.142
where: short stacking energy: -54.497
Base-Backbone interact. energy: -0.416
local terms energy: -61.251893
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -173.008386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.008386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.008386 (E_RNA)
where:
Base-Base interactions energy: -116.936
where: short stacking energy: -49.925
Base-Backbone interact. energy: -1.092
local terms energy: -54.980317
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -88.887592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.887592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.887592 (E_RNA)
where:
Base-Base interactions energy: -39.933
where: short stacking energy: -29.443
Base-Backbone interact. energy: -0.072
local terms energy: -48.882489
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -94.231302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.231302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.231302 (E_RNA)
where:
Base-Base interactions energy: -44.565
where: short stacking energy: -31.449
Base-Backbone interact. energy: 1.184
local terms energy: -50.850177
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -76.296481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.296481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.296481 (E_RNA)
where:
Base-Base interactions energy: -30.371
where: short stacking energy: -25.531
Base-Backbone interact. energy: -0.295
local terms energy: -45.629948
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: 3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -69.643268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.643268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.643268 (E_RNA)
where:
Base-Base interactions energy: -23.642
where: short stacking energy: -23.642
Base-Backbone interact. energy: 0.605
local terms energy: -46.606634
where:
bonds (distance) C4'-P energy: -7.119
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -214.341495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.341495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.341495 (E_RNA)
where:
Base-Base interactions energy: -149.857
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.423
local terms energy: -64.061573
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -10.112
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: 227
Temperature: 0.950000
Total energy: -219.553171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.553171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.553171 (E_RNA)
where:
Base-Base interactions energy: -145.771
where: short stacking energy: -67.447
Base-Backbone interact. energy: -0.414
local terms energy: -73.367929
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -18.615
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: 227
Temperature: 1.000000
Total energy: -223.000132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.000132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.000132 (E_RNA)
where:
Base-Base interactions energy: -143.215
where: short stacking energy: -66.800
Base-Backbone interact. energy: -0.003
local terms energy: -79.782104
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -191.612834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.612834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.612834 (E_RNA)
where:
Base-Base interactions energy: -125.593
where: short stacking energy: -57.329
Base-Backbone interact. energy: -0.023
local terms energy: -65.997000
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -14.212
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: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -184.243958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.243958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.243958 (E_RNA)
where:
Base-Base interactions energy: -129.460
where: short stacking energy: -47.510
Base-Backbone interact. energy: -0.501
local terms energy: -54.283801
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -6.092
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: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -181.654659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.654659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.654659 (E_RNA)
where:
Base-Base interactions energy: -111.172
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.100
local terms energy: -70.382428
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -17.623
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: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -97.828932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.828932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.828932 (E_RNA)
where:
Base-Base interactions energy: -51.375
where: short stacking energy: -30.994
Base-Backbone interact. energy: -0.144
local terms energy: -46.309659
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -8.080
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: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -82.603963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.603963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.603963 (E_RNA)
where:
Base-Base interactions energy: -30.111
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.048
local terms energy: -52.445231
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -75.833682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.833682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.833682 (E_RNA)
where:
Base-Base interactions energy: -18.736
where: short stacking energy: -18.241
Base-Backbone interact. energy: -0.150
local terms energy: -56.947790
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -12.714
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: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -75.655733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.655733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.655733 (E_RNA)
where:
Base-Base interactions energy: -22.289
where: short stacking energy: -22.289
Base-Backbone interact. energy: -0.120
local terms energy: -53.246317
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -3.134
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: 228
Temperature: 0.900000
Total energy: -216.574024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.574024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.574024 (E_RNA)
where:
Base-Base interactions energy: -140.557
where: short stacking energy: -57.195
Base-Backbone interact. energy: 0.420
local terms energy: -76.437242
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -218.124506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.124506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.124506 (E_RNA)
where:
Base-Base interactions energy: -149.278
where: short stacking energy: -53.072
Base-Backbone interact. energy: -0.128
local terms energy: -68.718391
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -223.900345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.900345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.900345 (E_RNA)
where:
Base-Base interactions energy: -145.812
where: short stacking energy: -71.850
Base-Backbone interact. energy: 0.541
local terms energy: -78.629489
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -191.816556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.816556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.816556 (E_RNA)
where:
Base-Base interactions energy: -123.542
where: short stacking energy: -53.450
Base-Backbone interact. energy: -0.117
local terms energy: -68.157043
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -183.191033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.191033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.191033 (E_RNA)
where:
Base-Base interactions energy: -112.347
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.010
local terms energy: -70.834049
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -184.739195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.739195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.739195 (E_RNA)
where:
Base-Base interactions energy: -131.714
where: short stacking energy: -50.107
Base-Backbone interact. energy: 4.107
local terms energy: -57.132678
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -102.827635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.827635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.827635 (E_RNA)
where:
Base-Base interactions energy: -45.500
where: short stacking energy: -31.783
Base-Backbone interact. energy: -0.089
local terms energy: -57.238821
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -4.727
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: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -85.070771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.070771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.070771 (E_RNA)
where:
Base-Base interactions energy: -36.521
where: short stacking energy: -34.220
Base-Backbone interact. energy: 1.961
local terms energy: -50.511031
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -105.444564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.444564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.444564 (E_RNA)
where:
Base-Base interactions energy: -60.459
where: short stacking energy: -22.296
Base-Backbone interact. energy: -0.383
local terms energy: -44.602498
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -4.483
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: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -73.426885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.426885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.426885 (E_RNA)
where:
Base-Base interactions energy: -29.435
where: short stacking energy: -13.769
Base-Backbone interact. energy: -0.139
local terms energy: -43.852970
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: 0.229
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -219.340820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.340820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.340820 (E_RNA)
where:
Base-Base interactions energy: -145.927
where: short stacking energy: -59.826
Base-Backbone interact. energy: -0.150
local terms energy: -73.263209
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -227.025922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.025922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.025922 (E_RNA)
where:
Base-Base interactions energy: -153.363
where: short stacking energy: -72.365
Base-Backbone interact. energy: -0.004
local terms energy: -73.658946
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -210.303287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.303287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.303287 (E_RNA)
where:
Base-Base interactions energy: -151.717
where: short stacking energy: -51.788
Base-Backbone interact. energy: 0.617
local terms energy: -59.203745
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -8.668
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: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -200.664291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.664291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.664291 (E_RNA)
where:
Base-Base interactions energy: -139.188
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.054
local terms energy: -61.422481
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -180.083560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.083560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.083560 (E_RNA)
where:
Base-Base interactions energy: -114.455
where: short stacking energy: -46.219
Base-Backbone interact. energy: -0.417
local terms energy: -65.211472
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -11.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -180.181854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.181854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.181854 (E_RNA)
where:
Base-Base interactions energy: -122.479
where: short stacking energy: -41.085
Base-Backbone interact. energy: -0.436
local terms energy: -57.266362
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -9.176
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: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -97.079530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.079530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.079530 (E_RNA)
where:
Base-Base interactions energy: -41.583
where: short stacking energy: -41.583
Base-Backbone interact. energy: -0.151
local terms energy: -55.345872
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -80.078433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.078433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.078433 (E_RNA)
where:
Base-Base interactions energy: -25.094
where: short stacking energy: -24.826
Base-Backbone interact. energy: -0.042
local terms energy: -54.942585
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -95.341413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.341413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.341413 (E_RNA)
where:
Base-Base interactions energy: -43.954
where: short stacking energy: -43.954
Base-Backbone interact. energy: 0.911
local terms energy: -52.298494
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -10.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -85.191084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.191084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.191084 (E_RNA)
where:
Base-Base interactions energy: -38.187
where: short stacking energy: -22.514
Base-Backbone interact. energy: -0.028
local terms energy: -46.975525
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -7.647
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -7.974
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: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -230.968081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.968081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.968081 (E_RNA)
where:
Base-Base interactions energy: -152.560
where: short stacking energy: -73.449
Base-Backbone interact. energy: -0.006
local terms energy: -78.402734
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -215.340842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.340842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.340842 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -59.262
Base-Backbone interact. energy: -1.000
local terms energy: -74.227470
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -213.838568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.838568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.838568 (E_RNA)
where:
Base-Base interactions energy: -144.255
where: short stacking energy: -60.215
Base-Backbone interact. energy: -0.005
local terms energy: -69.578256
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -16.145
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: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -205.411190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.411190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.411190 (E_RNA)
where:
Base-Base interactions energy: -146.137
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.315
local terms energy: -58.958945
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -10.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -168.662451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.662451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.662451 (E_RNA)
where:
Base-Base interactions energy: -109.555
where: short stacking energy: -43.701
Base-Backbone interact. energy: -0.340
local terms energy: -58.767417
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -8.557
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: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -181.137298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.137298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.137298 (E_RNA)
where:
Base-Base interactions energy: -124.625
where: short stacking energy: -52.797
Base-Backbone interact. energy: -0.295
local terms energy: -56.217780
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -100.179755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.179755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.179755 (E_RNA)
where:
Base-Base interactions energy: -54.421
where: short stacking energy: -43.921
Base-Backbone interact. energy: -0.094
local terms energy: -45.664614
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -7.310
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -10.499
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: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -83.378660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.378660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.378660 (E_RNA)
where:
Base-Base interactions energy: -34.438
where: short stacking energy: -29.190
Base-Backbone interact. energy: -0.219
local terms energy: -48.721820
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: 2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -80.185782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.185782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.185782 (E_RNA)
where:
Base-Base interactions energy: -29.116
where: short stacking energy: -29.116
Base-Backbone interact. energy: -0.166
local terms energy: -50.904349
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -72.685390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.685390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.685390 (E_RNA)
where:
Base-Base interactions energy: -22.470
where: short stacking energy: -22.357
Base-Backbone interact. energy: -0.038
local terms energy: -50.177504
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -230.475194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.475194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.475194 (E_RNA)
where:
Base-Base interactions energy: -151.456
where: short stacking energy: -78.228
Base-Backbone interact. energy: -0.000
local terms energy: -79.018854
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -217.726214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.726214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.726214 (E_RNA)
where:
Base-Base interactions energy: -151.269
where: short stacking energy: -62.118
Base-Backbone interact. energy: -0.304
local terms energy: -66.153923
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -212.578239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.578239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.578239 (E_RNA)
where:
Base-Base interactions energy: -142.359
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.170
local terms energy: -70.049427
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -6.739
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: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -185.697562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.697562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.697562 (E_RNA)
where:
Base-Base interactions energy: -125.758
where: short stacking energy: -46.167
Base-Backbone interact. energy: -1.167
local terms energy: -58.772495
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -196.628962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.628962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.628962 (E_RNA)
where:
Base-Base interactions energy: -137.391
where: short stacking energy: -53.844
Base-Backbone interact. energy: -0.294
local terms energy: -58.944006
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -184.267363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.267363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.267363 (E_RNA)
where:
Base-Base interactions energy: -120.611
where: short stacking energy: -59.977
Base-Backbone interact. energy: -0.091
local terms energy: -63.565936
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -12.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -111.258140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.258140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.258140 (E_RNA)
where:
Base-Base interactions energy: -56.329
where: short stacking energy: -42.677
Base-Backbone interact. energy: -0.080
local terms energy: -54.848892
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -85.476590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.476590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.476590 (E_RNA)
where:
Base-Base interactions energy: -40.960
where: short stacking energy: -36.472
Base-Backbone interact. energy: -0.266
local terms energy: -44.250287
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: 0.873
tors. eta vs tors. theta energy: -4.295
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: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -83.450772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.450772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.450772 (E_RNA)
where:
Base-Base interactions energy: -36.668
where: short stacking energy: -36.161
Base-Backbone interact. energy: -1.232
local terms energy: -45.549888
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -7.971
flat angles P-C4'-P energy: -3.496
tors. eta vs tors. theta energy: -8.472
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: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -76.632964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.632964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.632964 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -22.971
Base-Backbone interact. energy: -0.225
local terms energy: -42.965657
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -8.374
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -2.237
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: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -203.678748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.678748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.678748 (E_RNA)
where:
Base-Base interactions energy: -132.138
where: short stacking energy: -63.599
Base-Backbone interact. energy: -0.043
local terms energy: -71.498408
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -4.076
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: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -221.145710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.145710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.145710 (E_RNA)
where:
Base-Base interactions energy: -142.756
where: short stacking energy: -73.296
Base-Backbone interact. energy: -1.779
local terms energy: -76.610915
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.128
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: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -200.155465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.155465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.155465 (E_RNA)
where:
Base-Base interactions energy: -134.202
where: short stacking energy: -68.686
Base-Backbone interact. energy: 3.129
local terms energy: -69.083168
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -172.382890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.382890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.382890 (E_RNA)
where:
Base-Base interactions energy: -118.152
where: short stacking energy: -47.945
Base-Backbone interact. energy: -0.660
local terms energy: -53.571198
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -182.633168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.633168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.633168 (E_RNA)
where:
Base-Base interactions energy: -120.185
where: short stacking energy: -50.575
Base-Backbone interact. energy: -0.197
local terms energy: -62.251075
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -8.406
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: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -193.817757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.817757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.817757 (E_RNA)
where:
Base-Base interactions energy: -134.339
where: short stacking energy: -55.165
Base-Backbone interact. energy: -0.838
local terms energy: -58.640751
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -10.527
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: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -100.375958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.375958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.375958 (E_RNA)
where:
Base-Base interactions energy: -38.945
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.004
local terms energy: -61.426522
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -117.204851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.204851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.204851 (E_RNA)
where:
Base-Base interactions energy: -69.978
where: short stacking energy: -32.623
Base-Backbone interact. energy: -0.156
local terms energy: -47.071101
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -7.883
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: 9, replica: 4
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -90.534009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.534009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.534009 (E_RNA)
where:
Base-Base interactions energy: -49.407
where: short stacking energy: -27.667
Base-Backbone interact. energy: -0.480
local terms energy: -40.646692
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -6.906
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: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -70.230007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.230007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.230007 (E_RNA)
where:
Base-Base interactions energy: -27.910
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.280
local terms energy: -42.039821
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: 5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -205.092747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.092747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.092747 (E_RNA)
where:
Base-Base interactions energy: -138.478
where: short stacking energy: -57.415
Base-Backbone interact. energy: 1.083
local terms energy: -67.697698
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -11.766
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: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -195.211000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.211000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.211000 (E_RNA)
where:
Base-Base interactions energy: -122.859
where: short stacking energy: -60.160
Base-Backbone interact. energy: -0.678
local terms energy: -71.674430
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -215.378935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.378935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.378935 (E_RNA)
where:
Base-Base interactions energy: -141.558
where: short stacking energy: -69.223
Base-Backbone interact. energy: -0.028
local terms energy: -73.792315
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -20.910
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: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -187.818490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.818490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.818490 (E_RNA)
where:
Base-Base interactions energy: -136.221
where: short stacking energy: -48.458
Base-Backbone interact. energy: -0.419
local terms energy: -51.179097
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -7.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -189.332967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.332967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.332967 (E_RNA)
where:
Base-Base interactions energy: -125.301
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.570
local terms energy: -63.461443
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -5.666
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -18.383
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: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -183.063174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.063174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.063174 (E_RNA)
where:
Base-Base interactions energy: -130.496
where: short stacking energy: -57.281
Base-Backbone interact. energy: 0.245
local terms energy: -52.812747
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -5.823
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: 233
Temperature: 1.200000
Total energy: -95.821005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.821005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.821005 (E_RNA)
where:
Base-Base interactions energy: -42.043
where: short stacking energy: -33.744
Base-Backbone interact. energy: -1.029
local terms energy: -52.749244
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -89.401379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.401379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.401379 (E_RNA)
where:
Base-Base interactions energy: -38.900
where: short stacking energy: -31.182
Base-Backbone interact. energy: -0.340
local terms energy: -50.161995
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -128.958486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.958486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.958486 (E_RNA)
where:
Base-Base interactions energy: -76.229
where: short stacking energy: -43.865
Base-Backbone interact. energy: -0.108
local terms energy: -52.622174
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -74.736446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.736446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.736446 (E_RNA)
where:
Base-Base interactions energy: -20.913
where: short stacking energy: -20.748
Base-Backbone interact. energy: -0.101
local terms energy: -53.722069
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -205.354564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.354564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.354564 (E_RNA)
where:
Base-Base interactions energy: -130.937
where: short stacking energy: -70.985
Base-Backbone interact. energy: -0.004
local terms energy: -74.413503
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.684
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: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -194.054598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.054598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.054598 (E_RNA)
where:
Base-Base interactions energy: -125.224
where: short stacking energy: -63.637
Base-Backbone interact. energy: -1.003
local terms energy: -67.827265
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -13.744
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: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -224.676671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.676671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.676671 (E_RNA)
where:
Base-Base interactions energy: -138.713
where: short stacking energy: -70.963
Base-Backbone interact. energy: -0.579
local terms energy: -85.384056
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -9.877
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -190.549186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.549186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.549186 (E_RNA)
where:
Base-Base interactions energy: -121.597
where: short stacking energy: -49.723
Base-Backbone interact. energy: -0.207
local terms energy: -68.746007
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -176.406966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.406966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.406966 (E_RNA)
where:
Base-Base interactions energy: -118.547
where: short stacking energy: -52.486
Base-Backbone interact. energy: -0.025
local terms energy: -57.835440
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -182.436622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.436622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.436622 (E_RNA)
where:
Base-Base interactions energy: -120.414
where: short stacking energy: -46.059
Base-Backbone interact. energy: -0.191
local terms energy: -61.831749
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -9.513
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: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -100.647554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.647554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.647554 (E_RNA)
where:
Base-Base interactions energy: -41.174
where: short stacking energy: -34.838
Base-Backbone interact. energy: -0.231
local terms energy: -59.242345
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -10.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -94.609662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.609662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.609662 (E_RNA)
where:
Base-Base interactions energy: -37.113
where: short stacking energy: -33.464
Base-Backbone interact. energy: -0.208
local terms energy: -57.288811
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -119.335344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.335344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.335344 (E_RNA)
where:
Base-Base interactions energy: -66.482
where: short stacking energy: -33.817
Base-Backbone interact. energy: -1.169
local terms energy: -51.683573
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -93.437231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.437231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.437231 (E_RNA)
where:
Base-Base interactions energy: -42.277
where: short stacking energy: -39.702
Base-Backbone interact. energy: 0.318
local terms energy: -51.477897
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -3.097
tors. eta vs tors. theta energy: -5.253
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: 235
Temperature: 0.900000
Total energy: -204.308963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.308963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.308963 (E_RNA)
where:
Base-Base interactions energy: -129.494
where: short stacking energy: -65.201
Base-Backbone interact. energy: -0.006
local terms energy: -74.808348
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -21.545
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: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -226.075991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.075991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.075991 (E_RNA)
where:
Base-Base interactions energy: -152.287
where: short stacking energy: -69.733
Base-Backbone interact. energy: -0.054
local terms energy: -73.734903
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -19.432
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: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -187.787487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.787487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.787487 (E_RNA)
where:
Base-Base interactions energy: -123.568
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.014
local terms energy: -64.205426
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -182.370728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.370728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.370728 (E_RNA)
where:
Base-Base interactions energy: -117.548
where: short stacking energy: -57.475
Base-Backbone interact. energy: 1.219
local terms energy: -66.042239
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -183.551825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.551825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.551825 (E_RNA)
where:
Base-Base interactions energy: -120.531
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.375
local terms energy: -62.645454
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -155.354938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.354938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.354938 (E_RNA)
where:
Base-Base interactions energy: -91.559
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.174
local terms energy: -63.622132
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -111.556041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.556041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.556041 (E_RNA)
where:
Base-Base interactions energy: -58.253
where: short stacking energy: -47.084
Base-Backbone interact. energy: -0.243
local terms energy: -53.060182
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -125.208810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.208810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.208810 (E_RNA)
where:
Base-Base interactions energy: -70.278
where: short stacking energy: -31.853
Base-Backbone interact. energy: 1.685
local terms energy: -56.616017
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -79.594036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.594036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.594036 (E_RNA)
where:
Base-Base interactions energy: -31.675
where: short stacking energy: -31.675
Base-Backbone interact. energy: -0.025
local terms energy: -47.894045
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -76.929661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.929661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.929661 (E_RNA)
where:
Base-Base interactions energy: -18.754
where: short stacking energy: -15.904
Base-Backbone interact. energy: -0.063
local terms energy: -58.112246
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -8.076
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: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -225.621631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.621631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.621631 (E_RNA)
where:
Base-Base interactions energy: -145.692
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.797
local terms energy: -79.133110
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -208.995184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.995184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.995184 (E_RNA)
where:
Base-Base interactions energy: -135.009
where: short stacking energy: -72.482
Base-Backbone interact. energy: -0.012
local terms energy: -73.973572
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -21.062
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: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -192.174304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.174304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.174304 (E_RNA)
where:
Base-Base interactions energy: -121.863
where: short stacking energy: -56.568
Base-Backbone interact. energy: -1.091
local terms energy: -69.219918
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -189.088691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.088691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.088691 (E_RNA)
where:
Base-Base interactions energy: -121.507
where: short stacking energy: -52.441
Base-Backbone interact. energy: -0.109
local terms energy: -67.471911
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -6.348
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: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -176.946175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.946175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.946175 (E_RNA)
where:
Base-Base interactions energy: -118.198
where: short stacking energy: -53.656
Base-Backbone interact. energy: -0.395
local terms energy: -58.352618
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -12.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -150.158192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.158192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.158192 (E_RNA)
where:
Base-Base interactions energy: -90.833
where: short stacking energy: -44.211
Base-Backbone interact. energy: -0.080
local terms energy: -59.245396
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -8.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -84.204689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.204689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.204689 (E_RNA)
where:
Base-Base interactions energy: -32.835
where: short stacking energy: -32.835
Base-Backbone interact. energy: -0.105
local terms energy: -51.265076
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -112.634192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.634192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.634192 (E_RNA)
where:
Base-Base interactions energy: -56.993
where: short stacking energy: -33.507
Base-Backbone interact. energy: -0.019
local terms energy: -55.622754
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -112.329064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.329064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.329064 (E_RNA)
where:
Base-Base interactions energy: -64.538
where: short stacking energy: -29.761
Base-Backbone interact. energy: 0.068
local terms energy: -47.858521
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -0.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -112.340512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.340512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.340512 (E_RNA)
where:
Base-Base interactions energy: -63.144
where: short stacking energy: -33.690
Base-Backbone interact. energy: -0.706
local terms energy: -48.491026
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -227.852825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.852825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.852825 (E_RNA)
where:
Base-Base interactions energy: -152.410
where: short stacking energy: -71.552
Base-Backbone interact. energy: -0.064
local terms energy: -75.378928
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -205.967559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.967559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.967559 (E_RNA)
where:
Base-Base interactions energy: -127.701
where: short stacking energy: -61.984
Base-Backbone interact. energy: -0.080
local terms energy: -78.186692
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -190.340451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.340451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.340451 (E_RNA)
where:
Base-Base interactions energy: -121.166
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.086
local terms energy: -69.088980
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -8.601
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: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -177.962748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.962748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.962748 (E_RNA)
where:
Base-Base interactions energy: -115.356
where: short stacking energy: -44.212
Base-Backbone interact. energy: -0.012
local terms energy: -62.594610
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -6.051
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: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -182.495735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.495735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.495735 (E_RNA)
where:
Base-Base interactions energy: -127.971
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.294
local terms energy: -54.230558
where:
bonds (distance) C4'-P energy: -9.040
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -153.295384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.295384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.295384 (E_RNA)
where:
Base-Base interactions energy: -85.990
where: short stacking energy: -48.652
Base-Backbone interact. energy: -0.557
local terms energy: -66.748382
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -12.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -96.096847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.096847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.096847 (E_RNA)
where:
Base-Base interactions energy: -46.764
where: short stacking energy: -26.358
Base-Backbone interact. energy: -0.101
local terms energy: -49.231401
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -11.217
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: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -126.172929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.172929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.172929 (E_RNA)
where:
Base-Base interactions energy: -71.210
where: short stacking energy: -37.824
Base-Backbone interact. energy: -0.681
local terms energy: -54.282761
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -3.841
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: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -92.255737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.255737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.255737 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -28.719
Base-Backbone interact. energy: 0.491
local terms energy: -50.244516
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -3.775
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: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -84.553214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.553214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.553214 (E_RNA)
where:
Base-Base interactions energy: -31.267
where: short stacking energy: -26.738
Base-Backbone interact. energy: -0.395
local terms energy: -52.891018
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -231.382751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.382751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.382751 (E_RNA)
where:
Base-Base interactions energy: -159.331
where: short stacking energy: -81.120
Base-Backbone interact. energy: -0.645
local terms energy: -71.406573
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -10.517
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: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -203.445100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.445100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.445100 (E_RNA)
where:
Base-Base interactions energy: -127.610
where: short stacking energy: -71.932
Base-Backbone interact. energy: -0.098
local terms energy: -75.736441
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -187.959957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.959957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.959957 (E_RNA)
where:
Base-Base interactions energy: -133.762
where: short stacking energy: -49.058
Base-Backbone interact. energy: -0.805
local terms energy: -53.392341
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -4.111
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -208.260194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.260194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.260194 (E_RNA)
where:
Base-Base interactions energy: -130.428
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.012
local terms energy: -77.820496
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -18.882
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: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -190.391688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.391688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.391688 (E_RNA)
where:
Base-Base interactions energy: -126.094
where: short stacking energy: -65.830
Base-Backbone interact. energy: 1.062
local terms energy: -65.359697
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -15.453
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: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -134.915109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.915109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.915109 (E_RNA)
where:
Base-Base interactions energy: -74.764
where: short stacking energy: -43.604
Base-Backbone interact. energy: -0.087
local terms energy: -60.064858
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -124.995163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.995163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.995163 (E_RNA)
where:
Base-Base interactions energy: -67.105
where: short stacking energy: -28.364
Base-Backbone interact. energy: -0.575
local terms energy: -57.314818
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -7.801
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: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -83.446786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.446786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.446786 (E_RNA)
where:
Base-Base interactions energy: -31.384
where: short stacking energy: -20.767
Base-Backbone interact. energy: -0.098
local terms energy: -51.965292
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -7.427
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: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -88.281707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.281707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.281707 (E_RNA)
where:
Base-Base interactions energy: -30.936
where: short stacking energy: -30.936
Base-Backbone interact. energy: -0.156
local terms energy: -57.188853
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -6.239
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: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -87.002450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.002450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.002450 (E_RNA)
where:
Base-Base interactions energy: -39.286
where: short stacking energy: -30.449
Base-Backbone interact. energy: -0.238
local terms energy: -47.478246
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -227.650898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.650898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.650898 (E_RNA)
where:
Base-Base interactions energy: -155.897
where: short stacking energy: -67.012
Base-Backbone interact. energy: -0.532
local terms energy: -71.222428
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -205.383689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.383689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.383689 (E_RNA)
where:
Base-Base interactions energy: -129.344
where: short stacking energy: -67.267
Base-Backbone interact. energy: -0.002
local terms energy: -76.038314
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -184.080069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.080069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.080069 (E_RNA)
where:
Base-Base interactions energy: -120.095
where: short stacking energy: -60.657
Base-Backbone interact. energy: -0.157
local terms energy: -63.827814
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -10.721
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: 239
Temperature: 1.050000
Total energy: -196.825849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.825849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.825849 (E_RNA)
where:
Base-Base interactions energy: -129.708
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.098
local terms energy: -67.020086
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -18.349
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: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -186.535225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.535225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.535225 (E_RNA)
where:
Base-Base interactions energy: -122.064
where: short stacking energy: -58.070
Base-Backbone interact. energy: -0.008
local terms energy: -64.463743
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -134.214935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.214935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.214935 (E_RNA)
where:
Base-Base interactions energy: -79.286
where: short stacking energy: -41.209
Base-Backbone interact. energy: -0.410
local terms energy: -54.519271
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -4.391
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: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -151.281665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.281665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.281665 (E_RNA)
where:
Base-Base interactions energy: -93.102
where: short stacking energy: -43.045
Base-Backbone interact. energy: -0.127
local terms energy: -58.052568
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -115.124785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.124785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.124785 (E_RNA)
where:
Base-Base interactions energy: -69.643
where: short stacking energy: -44.773
Base-Backbone interact. energy: -0.009
local terms energy: -45.473097
where:
bonds (distance) C4'-P energy: -3.642
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -9.205
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -10.246
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: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -88.658774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.658774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.658774 (E_RNA)
where:
Base-Base interactions energy: -39.940
where: short stacking energy: -27.549
Base-Backbone interact. energy: -1.082
local terms energy: -47.636317
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -2.325
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -81.912186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.912186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.912186 (E_RNA)
where:
Base-Base interactions energy: -36.077
where: short stacking energy: -31.966
Base-Backbone interact. energy: -0.289
local terms energy: -45.545881
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -9.554
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -2.433
tors. eta vs tors. theta energy: -3.739
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: 240
Temperature: 0.900000
Total energy: -229.002214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.002214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.002214 (E_RNA)
where:
Base-Base interactions energy: -154.157
where: short stacking energy: -78.389
Base-Backbone interact. energy: 0.591
local terms energy: -75.436428
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -10.735
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: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -210.727267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.727267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.727267 (E_RNA)
where:
Base-Base interactions energy: -142.316
where: short stacking energy: -72.758
Base-Backbone interact. energy: -0.005
local terms energy: -68.406341
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -199.205709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.205709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.205709 (E_RNA)
where:
Base-Base interactions energy: -133.580
where: short stacking energy: -53.294
Base-Backbone interact. energy: -0.156
local terms energy: -65.469043
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -176.186276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.186276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.186276 (E_RNA)
where:
Base-Base interactions energy: -109.267
where: short stacking energy: -53.219
Base-Backbone interact. energy: -0.278
local terms energy: -66.641677
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -12.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -191.969782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.969782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.969782 (E_RNA)
where:
Base-Base interactions energy: -116.776
where: short stacking energy: -57.907
Base-Backbone interact. energy: -0.010
local terms energy: -75.184451
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -133.144887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.144887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.144887 (E_RNA)
where:
Base-Base interactions energy: -78.897
where: short stacking energy: -42.922
Base-Backbone interact. energy: -0.633
local terms energy: -53.615030
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -123.666788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.666788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.666788 (E_RNA)
where:
Base-Base interactions energy: -66.632
where: short stacking energy: -36.199
Base-Backbone interact. energy: -0.026
local terms energy: -57.009236
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -142.261637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.261637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.261637 (E_RNA)
where:
Base-Base interactions energy: -88.931
where: short stacking energy: -51.368
Base-Backbone interact. energy: -0.138
local terms energy: -53.192049
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -6.198
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -12.233
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: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -83.268619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.268619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.268619 (E_RNA)
where:
Base-Base interactions energy: -36.254
where: short stacking energy: -25.877
Base-Backbone interact. energy: -0.120
local terms energy: -46.894724
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -75.203605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.203605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.203605 (E_RNA)
where:
Base-Base interactions energy: -27.929
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.006
local terms energy: -47.269358
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -7.804
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -5.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -235.454606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.454606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.454606 (E_RNA)
where:
Base-Base interactions energy: -159.026
where: short stacking energy: -74.754
Base-Backbone interact. energy: -0.032
local terms energy: -76.396152
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -11.715
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: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -207.049053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.049053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.049053 (E_RNA)
where:
Base-Base interactions energy: -141.570
where: short stacking energy: -54.397
Base-Backbone interact. energy: -0.254
local terms energy: -65.225085
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -11.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -194.314247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.314247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.314247 (E_RNA)
where:
Base-Base interactions energy: -132.785
where: short stacking energy: -55.064
Base-Backbone interact. energy: -0.025
local terms energy: -61.504729
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -10.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -204.760114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.760114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.760114 (E_RNA)
where:
Base-Base interactions energy: -133.284
where: short stacking energy: -68.585
Base-Backbone interact. energy: -0.000
local terms energy: -71.475586
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -19.845
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: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -187.647506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.647506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.647506 (E_RNA)
where:
Base-Base interactions energy: -122.224
where: short stacking energy: -53.925
Base-Backbone interact. energy: -0.182
local terms energy: -65.241630
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -142.510720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.510720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.510720 (E_RNA)
where:
Base-Base interactions energy: -84.392
where: short stacking energy: -50.149
Base-Backbone interact. energy: -1.312
local terms energy: -56.806643
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -115.045012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.045012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.045012 (E_RNA)
where:
Base-Base interactions energy: -66.041
where: short stacking energy: -24.264
Base-Backbone interact. energy: -1.243
local terms energy: -47.761560
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -8.623
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -142.814744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.814744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.814744 (E_RNA)
where:
Base-Base interactions energy: -79.103
where: short stacking energy: -32.604
Base-Backbone interact. energy: -0.298
local terms energy: -63.413556
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -10.727
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: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -88.222289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.222289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.222289 (E_RNA)
where:
Base-Base interactions energy: -29.364
where: short stacking energy: -29.364
Base-Backbone interact. energy: -0.069
local terms energy: -58.788879
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -79.141958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.141958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.141958 (E_RNA)
where:
Base-Base interactions energy: -33.857
where: short stacking energy: -22.760
Base-Backbone interact. energy: -0.175
local terms energy: -45.110220
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -235.910721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.910721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.910721 (E_RNA)
where:
Base-Base interactions energy: -155.172
where: short stacking energy: -76.549
Base-Backbone interact. energy: -0.301
local terms energy: -80.437687
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -18.456
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: 242
Temperature: 0.950000
Total energy: -208.163138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.163138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.163138 (E_RNA)
where:
Base-Base interactions energy: -142.232
where: short stacking energy: -59.675
Base-Backbone interact. energy: 0.886
local terms energy: -66.817202
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -184.302047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.302047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.302047 (E_RNA)
where:
Base-Base interactions energy: -119.438
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.259
local terms energy: -64.604966
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -12.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -201.502457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.502457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.502457 (E_RNA)
where:
Base-Base interactions energy: -126.389
where: short stacking energy: -68.455
Base-Backbone interact. energy: -0.002
local terms energy: -75.110852
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -170.429925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.429925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.429925 (E_RNA)
where:
Base-Base interactions energy: -102.563
where: short stacking energy: -56.798
Base-Backbone interact. energy: 0.180
local terms energy: -68.046636
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -12.539
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: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -191.563981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.563981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.563981 (E_RNA)
where:
Base-Base interactions energy: -131.401
where: short stacking energy: -62.685
Base-Backbone interact. energy: -0.222
local terms energy: -59.941085
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -125.941597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.941597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.941597 (E_RNA)
where:
Base-Base interactions energy: -63.878
where: short stacking energy: -32.905
Base-Backbone interact. energy: -0.925
local terms energy: -61.138955
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -11.513
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: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -137.427864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.427864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.427864 (E_RNA)
where:
Base-Base interactions energy: -89.360
where: short stacking energy: -35.778
Base-Backbone interact. energy: -0.098
local terms energy: -47.969664
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -80.027772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.027772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.027772 (E_RNA)
where:
Base-Base interactions energy: -34.549
where: short stacking energy: -34.549
Base-Backbone interact. energy: 0.326
local terms energy: -45.804362
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -4.734
tors. eta vs tors. theta energy: -0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -76.835891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.835891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.835891 (E_RNA)
where:
Base-Base interactions energy: -30.047
where: short stacking energy: -30.047
Base-Backbone interact. energy: -0.304
local terms energy: -46.484787
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -2.091
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -221.977202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.977202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.977202 (E_RNA)
where:
Base-Base interactions energy: -148.309
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.070
local terms energy: -73.598887
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -206.990744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.990744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.990744 (E_RNA)
where:
Base-Base interactions energy: -140.719
where: short stacking energy: -60.735
Base-Backbone interact. energy: -0.246
local terms energy: -66.025180
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -194.245372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.245372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.245372 (E_RNA)
where:
Base-Base interactions energy: -126.072
where: short stacking energy: -61.691
Base-Backbone interact. energy: -0.501
local terms energy: -67.672677
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -176.323015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.323015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.323015 (E_RNA)
where:
Base-Base interactions energy: -121.617
where: short stacking energy: -58.316
Base-Backbone interact. energy: -0.410
local terms energy: -54.295851
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -9.495
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -1.058
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: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -187.562635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.562635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.562635 (E_RNA)
where:
Base-Base interactions energy: -111.981
where: short stacking energy: -58.216
Base-Backbone interact. energy: -0.132
local terms energy: -75.449072
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -200.552152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.552152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.552152 (E_RNA)
where:
Base-Base interactions energy: -136.093
where: short stacking energy: -66.434
Base-Backbone interact. energy: -0.283
local terms energy: -64.175610
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -131.461785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.461785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.461785 (E_RNA)
where:
Base-Base interactions energy: -78.619
where: short stacking energy: -37.744
Base-Backbone interact. energy: -0.147
local terms energy: -52.695820
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -7.383
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: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -97.669260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.669260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.669260 (E_RNA)
where:
Base-Base interactions energy: -47.603
where: short stacking energy: -36.986
Base-Backbone interact. energy: -0.287
local terms energy: -49.778862
where:
bonds (distance) C4'-P energy: -6.548
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -117.602362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.602362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.602362 (E_RNA)
where:
Base-Base interactions energy: -66.438
where: short stacking energy: -35.884
Base-Backbone interact. energy: -0.260
local terms energy: -50.903813
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -4.190
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: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -75.174933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.174933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.174933 (E_RNA)
where:
Base-Base interactions energy: -23.607
where: short stacking energy: -23.607
Base-Backbone interact. energy: -0.397
local terms energy: -51.170807
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -5.474
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: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -225.069254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.069254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.069254 (E_RNA)
where:
Base-Base interactions energy: -153.565
where: short stacking energy: -70.695
Base-Backbone interact. energy: -0.000
local terms energy: -71.503529
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -199.215653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.215653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.215653 (E_RNA)
where:
Base-Base interactions energy: -129.293
where: short stacking energy: -62.965
Base-Backbone interact. energy: -0.355
local terms energy: -69.567885
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -199.197092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.197092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.197092 (E_RNA)
where:
Base-Base interactions energy: -127.175
where: short stacking energy: -64.574
Base-Backbone interact. energy: -0.199
local terms energy: -71.822969
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -20.022
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: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -201.788430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.788430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.788430 (E_RNA)
where:
Base-Base interactions energy: -138.856
where: short stacking energy: -68.285
Base-Backbone interact. energy: -0.011
local terms energy: -62.921600
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -8.644
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: 5, replica: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -174.650274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.650274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.650274 (E_RNA)
where:
Base-Base interactions energy: -111.262
where: short stacking energy: -50.438
Base-Backbone interact. energy: -0.234
local terms energy: -63.154025
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -198.217570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.217570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.217570 (E_RNA)
where:
Base-Base interactions energy: -130.146
where: short stacking energy: -46.903
Base-Backbone interact. energy: -0.141
local terms energy: -67.930106
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -138.539935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.539935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.539935 (E_RNA)
where:
Base-Base interactions energy: -88.396
where: short stacking energy: -38.219
Base-Backbone interact. energy: -0.340
local terms energy: -49.803881
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -3.576
tors. eta vs tors. theta energy: -7.421
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: 244
Temperature: 1.250000
Total energy: -86.619320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.619320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.619320 (E_RNA)
where:
Base-Base interactions energy: -37.931
where: short stacking energy: -27.836
Base-Backbone interact. energy: -0.107
local terms energy: -48.581398
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -5.041
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: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -80.804498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.804498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.804498 (E_RNA)
where:
Base-Base interactions energy: -26.068
where: short stacking energy: -20.340
Base-Backbone interact. energy: 0.337
local terms energy: -55.073541
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -77.061956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.061956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.061956 (E_RNA)
where:
Base-Base interactions energy: -26.808
where: short stacking energy: -26.808
Base-Backbone interact. energy: -0.200
local terms energy: -50.053715
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -6.845
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -3.810
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: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -224.897502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.897502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.897502 (E_RNA)
where:
Base-Base interactions energy: -146.102
where: short stacking energy: -71.563
Base-Backbone interact. energy: -0.927
local terms energy: -77.868511
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -20.455
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: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -202.472549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.472549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.472549 (E_RNA)
where:
Base-Base interactions energy: -126.970
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.362
local terms energy: -75.140708
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -14.215
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: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -195.709858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.709858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.709858 (E_RNA)
where:
Base-Base interactions energy: -132.454
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.153
local terms energy: -63.102546
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -4.526
tors. eta vs tors. theta energy: -14.248
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: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -198.034169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.034169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.034169 (E_RNA)
where:
Base-Base interactions energy: -125.355
where: short stacking energy: -60.934
Base-Backbone interact. energy: -0.053
local terms energy: -72.625718
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -190.550780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.550780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.550780 (E_RNA)
where:
Base-Base interactions energy: -118.007
where: short stacking energy: -57.973
Base-Backbone interact. energy: 0.617
local terms energy: -73.160959
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -15.056
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: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -195.748319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.748319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.748319 (E_RNA)
where:
Base-Base interactions energy: -130.135
where: short stacking energy: -51.548
Base-Backbone interact. energy: -0.081
local terms energy: -65.532384
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -138.115921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.115921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.115921 (E_RNA)
where:
Base-Base interactions energy: -74.927
where: short stacking energy: -39.130
Base-Backbone interact. energy: -0.109
local terms energy: -63.079089
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -6.007
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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -94.304886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.304886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.304886 (E_RNA)
where:
Base-Base interactions energy: -41.958
where: short stacking energy: -41.189
Base-Backbone interact. energy: -0.011
local terms energy: -52.336109
where:
bonds (distance) C4'-P energy: -6.412
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -88.621138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.621138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.621138 (E_RNA)
where:
Base-Base interactions energy: -36.529
where: short stacking energy: -34.897
Base-Backbone interact. energy: -0.682
local terms energy: -51.410045
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -80.319058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.319058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.319058 (E_RNA)
where:
Base-Base interactions energy: -30.950
where: short stacking energy: -20.054
Base-Backbone interact. energy: -0.207
local terms energy: -49.162607
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: 3.140
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: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -215.871233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871233 (E_RNA)
where:
Base-Base interactions energy: -147.980
where: short stacking energy: -61.040
Base-Backbone interact. energy: -1.433
local terms energy: -66.458664
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -219.096774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.096774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.096774 (E_RNA)
where:
Base-Base interactions energy: -150.690
where: short stacking energy: -66.645
Base-Backbone interact. energy: -0.000
local terms energy: -68.406147
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -6.467
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: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -192.734831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.734831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.734831 (E_RNA)
where:
Base-Base interactions energy: -127.242
where: short stacking energy: -68.089
Base-Backbone interact. energy: -0.025
local terms energy: -65.467696
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -171.497554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.497554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.497554 (E_RNA)
where:
Base-Base interactions energy: -100.504
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.488
local terms energy: -70.506410
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -11.966
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: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -193.040204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.040204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.040204 (E_RNA)
where:
Base-Base interactions energy: -124.460
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.155
local terms energy: -68.425039
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -177.599814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.599814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.599814 (E_RNA)
where:
Base-Base interactions energy: -116.808
where: short stacking energy: -56.174
Base-Backbone interact. energy: -0.079
local terms energy: -60.711972
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -118.283778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.283778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.283778 (E_RNA)
where:
Base-Base interactions energy: -68.776
where: short stacking energy: -38.904
Base-Backbone interact. energy: -0.053
local terms energy: -49.454581
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -97.498994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.498994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.498994 (E_RNA)
where:
Base-Base interactions energy: -38.112
where: short stacking energy: -34.459
Base-Backbone interact. energy: -0.019
local terms energy: -59.368292
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -85.900505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.900505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.900505 (E_RNA)
where:
Base-Base interactions energy: -34.458
where: short stacking energy: -33.306
Base-Backbone interact. energy: -0.145
local terms energy: -51.296954
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -78.957381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.957381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.957381 (E_RNA)
where:
Base-Base interactions energy: -19.433
where: short stacking energy: -17.906
Base-Backbone interact. energy: -0.441
local terms energy: -59.083824
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -8.435
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: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -212.707667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.707667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.707667 (E_RNA)
where:
Base-Base interactions energy: -139.223
where: short stacking energy: -56.573
Base-Backbone interact. energy: -0.038
local terms energy: -73.446230
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -14.671
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: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -223.113198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.113198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.113198 (E_RNA)
where:
Base-Base interactions energy: -152.095
where: short stacking energy: -70.050
Base-Backbone interact. energy: -0.006
local terms energy: -71.012766
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -193.403152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.403152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.403152 (E_RNA)
where:
Base-Base interactions energy: -122.339
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.005
local terms energy: -71.058682
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -208.868035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.868035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.868035 (E_RNA)
where:
Base-Base interactions energy: -139.157
where: short stacking energy: -62.752
Base-Backbone interact. energy: -0.168
local terms energy: -69.542140
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -160.641172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.641172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.641172 (E_RNA)
where:
Base-Base interactions energy: -101.916
where: short stacking energy: -51.092
Base-Backbone interact. energy: -0.059
local terms energy: -58.666560
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -159.479225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.479225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.479225 (E_RNA)
where:
Base-Base interactions energy: -103.534
where: short stacking energy: -51.277
Base-Backbone interact. energy: -0.479
local terms energy: -55.466247
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -98.898462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.898462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.898462 (E_RNA)
where:
Base-Base interactions energy: -39.545
where: short stacking energy: -39.545
Base-Backbone interact. energy: -0.169
local terms energy: -59.183929
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -95.549355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.549355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.549355 (E_RNA)
where:
Base-Base interactions energy: -46.408
where: short stacking energy: -25.157
Base-Backbone interact. energy: -0.743
local terms energy: -48.398990
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -86.569631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.569631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.569631 (E_RNA)
where:
Base-Base interactions energy: -32.050
where: short stacking energy: -29.870
Base-Backbone interact. energy: -0.098
local terms energy: -54.421643
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -75.754366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.754366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.754366 (E_RNA)
where:
Base-Base interactions energy: -28.840
where: short stacking energy: -12.129
Base-Backbone interact. energy: -0.160
local terms energy: -46.755199
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -5.999
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -235.289245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.289245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.289245 (E_RNA)
where:
Base-Base interactions energy: -154.988
where: short stacking energy: -72.219
Base-Backbone interact. energy: -0.025
local terms energy: -80.275708
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -198.881701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.881701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.881701 (E_RNA)
where:
Base-Base interactions energy: -125.321
where: short stacking energy: -62.969
Base-Backbone interact. energy: -0.765
local terms energy: -72.795782
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -212.702008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.702008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.702008 (E_RNA)
where:
Base-Base interactions energy: -138.346
where: short stacking energy: -60.974
Base-Backbone interact. energy: -0.450
local terms energy: -73.906481
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -194.490807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.490807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.490807 (E_RNA)
where:
Base-Base interactions energy: -131.462
where: short stacking energy: -70.690
Base-Backbone interact. energy: -0.002
local terms energy: -63.027000
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -8.764
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -174.985811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.985811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.985811 (E_RNA)
where:
Base-Base interactions energy: -125.217
where: short stacking energy: -57.150
Base-Backbone interact. energy: -0.263
local terms energy: -49.505208
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -154.929522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.929522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.929522 (E_RNA)
where:
Base-Base interactions energy: -94.981
where: short stacking energy: -48.809
Base-Backbone interact. energy: 0.821
local terms energy: -60.769691
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -94.241191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.241191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.241191 (E_RNA)
where:
Base-Base interactions energy: -43.373
where: short stacking energy: -24.807
Base-Backbone interact. energy: -0.429
local terms energy: -50.439657
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -110.455109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.455109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.455109 (E_RNA)
where:
Base-Base interactions energy: -56.403
where: short stacking energy: -28.556
Base-Backbone interact. energy: -0.118
local terms energy: -53.934114
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -86.752148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.752148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.752148 (E_RNA)
where:
Base-Base interactions energy: -43.914
where: short stacking energy: -28.739
Base-Backbone interact. energy: 0.714
local terms energy: -43.551753
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: 2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -86.005774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.005774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.005774 (E_RNA)
where:
Base-Base interactions energy: -42.111
where: short stacking energy: -27.821
Base-Backbone interact. energy: -0.898
local terms energy: -42.996833
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -1.885
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: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -233.989119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.989119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.989119 (E_RNA)
where:
Base-Base interactions energy: -154.861
where: short stacking energy: -76.879
Base-Backbone interact. energy: -0.027
local terms energy: -79.101605
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -227.613575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.613575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.613575 (E_RNA)
where:
Base-Base interactions energy: -150.669
where: short stacking energy: -59.567
Base-Backbone interact. energy: -0.310
local terms energy: -76.634194
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -203.497611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.497611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.497611 (E_RNA)
where:
Base-Base interactions energy: -130.586
where: short stacking energy: -57.998
Base-Backbone interact. energy: -0.661
local terms energy: -72.251400
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -13.905
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: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -187.902804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.902804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.902804 (E_RNA)
where:
Base-Base interactions energy: -121.927
where: short stacking energy: -47.861
Base-Backbone interact. energy: -0.089
local terms energy: -65.886270
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -10.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -197.609414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.609414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.609414 (E_RNA)
where:
Base-Base interactions energy: -129.168
where: short stacking energy: -55.638
Base-Backbone interact. energy: -0.137
local terms energy: -68.305028
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -151.809649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.809649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.809649 (E_RNA)
where:
Base-Base interactions energy: -88.008
where: short stacking energy: -47.332
Base-Backbone interact. energy: 0.286
local terms energy: -64.087492
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -14.106
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: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -100.968889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.968889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.968889 (E_RNA)
where:
Base-Base interactions energy: -47.744
where: short stacking energy: -40.812
Base-Backbone interact. energy: -0.021
local terms energy: -53.204051
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -95.717372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.717372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.717372 (E_RNA)
where:
Base-Base interactions energy: -39.871
where: short stacking energy: -27.296
Base-Backbone interact. energy: -0.535
local terms energy: -55.310683
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -92.915144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.915144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.915144 (E_RNA)
where:
Base-Base interactions energy: -36.353
where: short stacking energy: -34.744
Base-Backbone interact. energy: -0.844
local terms energy: -55.718574
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -77.613001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.613001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.613001 (E_RNA)
where:
Base-Base interactions energy: -36.293
where: short stacking energy: -32.114
Base-Backbone interact. energy: -1.370
local terms energy: -39.949661
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -4.463
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: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -220.407447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.407447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.407447 (E_RNA)
where:
Base-Base interactions energy: -151.196
where: short stacking energy: -67.290
Base-Backbone interact. energy: -0.242
local terms energy: -68.969985
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -224.142109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.142109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.142109 (E_RNA)
where:
Base-Base interactions energy: -157.176
where: short stacking energy: -66.721
Base-Backbone interact. energy: -0.035
local terms energy: -66.931596
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -16.330
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: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -192.305192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.305192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.305192 (E_RNA)
where:
Base-Base interactions energy: -118.293
where: short stacking energy: -57.303
Base-Backbone interact. energy: -0.123
local terms energy: -73.888806
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -178.878137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.878137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.878137 (E_RNA)
where:
Base-Base interactions energy: -124.292
where: short stacking energy: -53.730
Base-Backbone interact. energy: -0.307
local terms energy: -54.279375
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -178.326223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.326223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.326223 (E_RNA)
where:
Base-Base interactions energy: -112.390
where: short stacking energy: -60.987
Base-Backbone interact. energy: 0.044
local terms energy: -65.981060
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -11.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -155.227160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.227160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.227160 (E_RNA)
where:
Base-Base interactions energy: -94.722
where: short stacking energy: -51.646
Base-Backbone interact. energy: 0.936
local terms energy: -61.440318
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -109.981044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.981044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.981044 (E_RNA)
where:
Base-Base interactions energy: -52.930
where: short stacking energy: -35.912
Base-Backbone interact. energy: -0.048
local terms energy: -57.003156
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -89.193787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.193787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.193787 (E_RNA)
where:
Base-Base interactions energy: -28.629
where: short stacking energy: -28.629
Base-Backbone interact. energy: -0.013
local terms energy: -60.551507
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -79.507075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.507075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.507075 (E_RNA)
where:
Base-Base interactions energy: -32.477
where: short stacking energy: -30.399
Base-Backbone interact. energy: -0.610
local terms energy: -46.420973
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -70.000838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.000838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.000838 (E_RNA)
where:
Base-Base interactions energy: -18.581
where: short stacking energy: -18.581
Base-Backbone interact. energy: -0.119
local terms energy: -51.300883
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -213.667700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.667700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.667700 (E_RNA)
where:
Base-Base interactions energy: -139.923
where: short stacking energy: -59.094
Base-Backbone interact. energy: 0.095
local terms energy: -73.839914
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -206.128023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.128023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.128023 (E_RNA)
where:
Base-Base interactions energy: -128.897
where: short stacking energy: -66.824
Base-Backbone interact. energy: -0.001
local terms energy: -77.229833
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -21.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -228.099813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.099813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.099813 (E_RNA)
where:
Base-Base interactions energy: -147.220
where: short stacking energy: -71.314
Base-Backbone interact. energy: -0.462
local terms energy: -80.417667
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -10.281
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: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -201.469097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.469097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.469097 (E_RNA)
where:
Base-Base interactions energy: -141.448
where: short stacking energy: -60.920
Base-Backbone interact. energy: -0.154
local terms energy: -59.866349
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -5.988
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: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -180.496160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.496160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.496160 (E_RNA)
where:
Base-Base interactions energy: -127.169
where: short stacking energy: -50.368
Base-Backbone interact. energy: -0.440
local terms energy: -52.887305
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -10.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -177.603970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.603970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.603970 (E_RNA)
where:
Base-Base interactions energy: -115.034
where: short stacking energy: -67.071
Base-Backbone interact. energy: -0.014
local terms energy: -62.556479
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -110.056527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.056527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.056527 (E_RNA)
where:
Base-Base interactions energy: -51.174
where: short stacking energy: -34.758
Base-Backbone interact. energy: 0.565
local terms energy: -59.448094
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -7.723
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: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -87.763822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.763822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.763822 (E_RNA)
where:
Base-Base interactions energy: -44.420
where: short stacking energy: -36.981
Base-Backbone interact. energy: 1.020
local terms energy: -44.363846
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -83.238288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.238288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.238288 (E_RNA)
where:
Base-Base interactions energy: -38.404
where: short stacking energy: -25.097
Base-Backbone interact. energy: -1.335
local terms energy: -43.498456
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -86.092346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.092346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.092346 (E_RNA)
where:
Base-Base interactions energy: -37.503
where: short stacking energy: -31.836
Base-Backbone interact. energy: -0.213
local terms energy: -48.376472
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -3.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -219.507713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.507713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.507713 (E_RNA)
where:
Base-Base interactions energy: -146.861
where: short stacking energy: -69.582
Base-Backbone interact. energy: -1.080
local terms energy: -71.566601
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -17.083
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: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -196.352762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.352762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.352762 (E_RNA)
where:
Base-Base interactions energy: -117.277
where: short stacking energy: -59.207
Base-Backbone interact. energy: -0.004
local terms energy: -79.071993
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -224.388788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.388788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.388788 (E_RNA)
where:
Base-Base interactions energy: -145.316
where: short stacking energy: -71.795
Base-Backbone interact. energy: -0.001
local terms energy: -79.071965
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -211.764356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.764356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.764356 (E_RNA)
where:
Base-Base interactions energy: -145.577
where: short stacking energy: -59.296
Base-Backbone interact. energy: -0.146
local terms energy: -66.041115
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -7.308
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: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -160.668895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.668895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.668895 (E_RNA)
where:
Base-Base interactions energy: -100.654
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.088
local terms energy: -59.926757
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -190.120218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.120218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.120218 (E_RNA)
where:
Base-Base interactions energy: -125.450
where: short stacking energy: -56.803
Base-Backbone interact. energy: 0.236
local terms energy: -64.906839
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -15.664
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: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -106.862800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.862800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.862800 (E_RNA)
where:
Base-Base interactions energy: -49.792
where: short stacking energy: -37.441
Base-Backbone interact. energy: -0.162
local terms energy: -56.907879
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -84.456116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.456116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.456116 (E_RNA)
where:
Base-Base interactions energy: -34.200
where: short stacking energy: -28.223
Base-Backbone interact. energy: -0.886
local terms energy: -49.369439
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -89.763691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.763691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.763691 (E_RNA)
where:
Base-Base interactions energy: -45.601
where: short stacking energy: -31.154
Base-Backbone interact. energy: -0.310
local terms energy: -43.852407
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -2.273
tors. eta vs tors. theta energy: -3.983
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: 252
Temperature: 1.350000
Total energy: -86.542023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.542023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.542023 (E_RNA)
where:
Base-Base interactions energy: -39.515
where: short stacking energy: -39.515
Base-Backbone interact. energy: -0.055
local terms energy: -46.972162
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -8.138
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: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -225.129517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.129517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.129517 (E_RNA)
where:
Base-Base interactions energy: -148.071
where: short stacking energy: -63.406
Base-Backbone interact. energy: -1.682
local terms energy: -75.376544
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -225.737179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.737179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.737179 (E_RNA)
where:
Base-Base interactions energy: -149.384
where: short stacking energy: -74.149
Base-Backbone interact. energy: -0.000
local terms energy: -76.352973
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -208.114625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.114625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.114625 (E_RNA)
where:
Base-Base interactions energy: -136.831
where: short stacking energy: -63.898
Base-Backbone interact. energy: -0.044
local terms energy: -71.239652
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -152.721966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.721966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.721966 (E_RNA)
where:
Base-Base interactions energy: -87.681
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.580
local terms energy: -64.461352
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -185.710513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.710513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.710513 (E_RNA)
where:
Base-Base interactions energy: -119.212
where: short stacking energy: -55.256
Base-Backbone interact. energy: 2.351
local terms energy: -68.849209
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -181.162112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.162112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.162112 (E_RNA)
where:
Base-Base interactions energy: -119.519
where: short stacking energy: -54.530
Base-Backbone interact. energy: -0.117
local terms energy: -61.525491
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -14.025
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: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -114.166384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.166384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.166384 (E_RNA)
where:
Base-Base interactions energy: -62.498
where: short stacking energy: -41.984
Base-Backbone interact. energy: -0.079
local terms energy: -51.589524
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -87.337536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.337536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.337536 (E_RNA)
where:
Base-Base interactions energy: -34.913
where: short stacking energy: -34.913
Base-Backbone interact. energy: 0.138
local terms energy: -52.562677
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -91.086010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.086010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.086010 (E_RNA)
where:
Base-Base interactions energy: -38.164
where: short stacking energy: -36.040
Base-Backbone interact. energy: -0.106
local terms energy: -52.815971
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -9.922
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: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -78.344403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.344403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.344403 (E_RNA)
where:
Base-Base interactions energy: -31.483
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.044
local terms energy: -46.817654
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: 1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -234.556277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.556277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.556277 (E_RNA)
where:
Base-Base interactions energy: -153.435
where: short stacking energy: -75.396
Base-Backbone interact. energy: -0.004
local terms energy: -81.117306
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -216.085556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.085556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.085556 (E_RNA)
where:
Base-Base interactions energy: -141.511
where: short stacking energy: -66.349
Base-Backbone interact. energy: -0.205
local terms energy: -74.369806
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -156.837067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.837067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.837067 (E_RNA)
where:
Base-Base interactions energy: -93.967
where: short stacking energy: -58.295
Base-Backbone interact. energy: -1.117
local terms energy: -61.752567
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -3.272
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: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -191.338506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.338506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.338506 (E_RNA)
where:
Base-Base interactions energy: -117.634
where: short stacking energy: -60.043
Base-Backbone interact. energy: -0.003
local terms energy: -73.701337
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -189.873382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.873382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.873382 (E_RNA)
where:
Base-Base interactions energy: -125.536
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.003
local terms energy: -64.334990
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -187.293415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.293415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.293415 (E_RNA)
where:
Base-Base interactions energy: -115.248
where: short stacking energy: -58.993
Base-Backbone interact. energy: -0.041
local terms energy: -72.004044
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -11.893
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: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -93.420010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.420010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.420010 (E_RNA)
where:
Base-Base interactions energy: -45.718
where: short stacking energy: -24.324
Base-Backbone interact. energy: -0.187
local terms energy: -47.514700
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: 1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -91.372747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.372747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.372747 (E_RNA)
where:
Base-Base interactions energy: -34.804
where: short stacking energy: -25.432
Base-Backbone interact. energy: -0.197
local terms energy: -56.371201
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -3.574
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: 254
Temperature: 1.300000
Total energy: -80.545597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.545597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.545597 (E_RNA)
where:
Base-Base interactions energy: -33.081
where: short stacking energy: -33.081
Base-Backbone interact. energy: -0.306
local terms energy: -47.158227
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -78.102880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.102880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.102880 (E_RNA)
where:
Base-Base interactions energy: -36.629
where: short stacking energy: -25.068
Base-Backbone interact. energy: 2.869
local terms energy: -44.342238
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -1.599
tors. eta vs tors. theta energy: -1.386
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: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -234.449370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.449370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.449370 (E_RNA)
where:
Base-Base interactions energy: -154.385
where: short stacking energy: -75.716
Base-Backbone interact. energy: -0.125
local terms energy: -79.938791
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -21.822
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: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -211.571331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.571331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.571331 (E_RNA)
where:
Base-Base interactions energy: -146.228
where: short stacking energy: -60.396
Base-Backbone interact. energy: -0.661
local terms energy: -64.681784
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -155.950194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.950194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.950194 (E_RNA)
where:
Base-Base interactions energy: -86.911
where: short stacking energy: -50.654
Base-Backbone interact. energy: -0.033
local terms energy: -69.006138
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -10.719
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: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -185.192826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.192826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.192826 (E_RNA)
where:
Base-Base interactions energy: -128.424
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.243
local terms energy: -56.526036
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -177.361270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.361270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.361270 (E_RNA)
where:
Base-Base interactions energy: -118.834
where: short stacking energy: -55.629
Base-Backbone interact. energy: -0.083
local terms energy: -58.444482
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -179.678012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.678012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.678012 (E_RNA)
where:
Base-Base interactions energy: -119.590
where: short stacking energy: -48.184
Base-Backbone interact. energy: 0.140
local terms energy: -60.227499
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -9.122
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: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -130.682791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.682791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.682791 (E_RNA)
where:
Base-Base interactions energy: -67.240
where: short stacking energy: -38.185
Base-Backbone interact. energy: -0.073
local terms energy: -63.369809
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -6.879
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: 255
Temperature: 1.250000
Total energy: -86.533080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.533080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.533080 (E_RNA)
where:
Base-Base interactions energy: -34.316
where: short stacking energy: -28.023
Base-Backbone interact. energy: -0.093
local terms energy: -52.123442
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -3.368
tors. eta vs tors. theta energy: -2.153
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: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -72.654915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.654915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.654915 (E_RNA)
where:
Base-Base interactions energy: -28.640
where: short stacking energy: -28.605
Base-Backbone interact. energy: 0.576
local terms energy: -44.590693
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -5.086
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -86.313791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.313791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.313791 (E_RNA)
where:
Base-Base interactions energy: -37.147
where: short stacking energy: -37.147
Base-Backbone interact. energy: -0.031
local terms energy: -49.136136
where:
bonds (distance) C4'-P energy: -6.385
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -8.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -234.538236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.538236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.538236 (E_RNA)
where:
Base-Base interactions energy: -158.027
where: short stacking energy: -78.140
Base-Backbone interact. energy: -0.014
local terms energy: -76.496517
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -21.417
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: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -218.138928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.138928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.138928 (E_RNA)
where:
Base-Base interactions energy: -139.456
where: short stacking energy: -68.806
Base-Backbone interact. energy: 0.009
local terms energy: -78.692136
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -188.301303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.301303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.301303 (E_RNA)
where:
Base-Base interactions energy: -122.198
where: short stacking energy: -58.708
Base-Backbone interact. energy: -0.490
local terms energy: -65.613824
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -16.604
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: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -176.112177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.112177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.112177 (E_RNA)
where:
Base-Base interactions energy: -104.931
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.669
local terms energy: -70.511765
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -186.216407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.216407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.216407 (E_RNA)
where:
Base-Base interactions energy: -126.299
where: short stacking energy: -55.749
Base-Backbone interact. energy: -0.647
local terms energy: -59.269870
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -1.048
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -194.421974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.421974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.421974 (E_RNA)
where:
Base-Base interactions energy: -122.337
where: short stacking energy: -67.864
Base-Backbone interact. energy: -0.063
local terms energy: -72.022300
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -9.897
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: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -121.999665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.999665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.999665 (E_RNA)
where:
Base-Base interactions energy: -72.617
where: short stacking energy: -38.838
Base-Backbone interact. energy: 1.762
local terms energy: -51.144356
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -6.668
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -97.579052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.579052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.579052 (E_RNA)
where:
Base-Base interactions energy: -40.784
where: short stacking energy: -37.563
Base-Backbone interact. energy: -0.237
local terms energy: -56.558607
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -79.636165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.636165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.636165 (E_RNA)
where:
Base-Base interactions energy: -30.692
where: short stacking energy: -20.601
Base-Backbone interact. energy: -0.246
local terms energy: -48.697784
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -4.728
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: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -72.999082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.999082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.999082 (E_RNA)
where:
Base-Base interactions energy: -34.190
where: short stacking energy: -23.194
Base-Backbone interact. energy: -1.679
local terms energy: -37.129700
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -7.401
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: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -232.287398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.287398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.287398 (E_RNA)
where:
Base-Base interactions energy: -148.005
where: short stacking energy: -69.065
Base-Backbone interact. energy: -0.001
local terms energy: -84.281189
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -22.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -209.118803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.118803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.118803 (E_RNA)
where:
Base-Base interactions energy: -138.331
where: short stacking energy: -60.652
Base-Backbone interact. energy: -0.286
local terms energy: -70.502359
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -215.326962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.326962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.326962 (E_RNA)
where:
Base-Base interactions energy: -136.707
where: short stacking energy: -59.167
Base-Backbone interact. energy: -0.537
local terms energy: -78.083489
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -189.869323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.869323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.869323 (E_RNA)
where:
Base-Base interactions energy: -122.649
where: short stacking energy: -68.183
Base-Backbone interact. energy: 0.231
local terms energy: -67.451268
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -149.955065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.955065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.955065 (E_RNA)
where:
Base-Base interactions energy: -92.800
where: short stacking energy: -37.398
Base-Backbone interact. energy: 0.387
local terms energy: -57.541747
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -179.891352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.891352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.891352 (E_RNA)
where:
Base-Base interactions energy: -108.112
where: short stacking energy: -52.221
Base-Backbone interact. energy: -0.284
local terms energy: -71.495337
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -14.725
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: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -144.090230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.090230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.090230 (E_RNA)
where:
Base-Base interactions energy: -89.963
where: short stacking energy: -33.939
Base-Backbone interact. energy: -0.135
local terms energy: -53.992405
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -93.506242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.506242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.506242 (E_RNA)
where:
Base-Base interactions energy: -42.348
where: short stacking energy: -42.348
Base-Backbone interact. energy: -0.113
local terms energy: -51.046182
where:
bonds (distance) C4'-P energy: -8.299
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -95.867340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.867340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.867340 (E_RNA)
where:
Base-Base interactions energy: -41.682
where: short stacking energy: -40.902
Base-Backbone interact. energy: -0.097
local terms energy: -54.088025
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -9.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -81.666867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.666867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.666867 (E_RNA)
where:
Base-Base interactions energy: -30.492
where: short stacking energy: -29.387
Base-Backbone interact. energy: -0.170
local terms energy: -51.005278
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -7.454
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: 1, replica: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -230.908944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.908944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.908944 (E_RNA)
where:
Base-Base interactions energy: -154.740
where: short stacking energy: -79.985
Base-Backbone interact. energy: -0.279
local terms energy: -75.890033
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -223.743655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.743655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.743655 (E_RNA)
where:
Base-Base interactions energy: -148.954
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.386
local terms energy: -74.403996
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -194.136754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.136754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.136754 (E_RNA)
where:
Base-Base interactions energy: -119.277
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.252
local terms energy: -74.607944
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -202.564381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.564381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.564381 (E_RNA)
where:
Base-Base interactions energy: -138.372
where: short stacking energy: -64.856
Base-Backbone interact. energy: 1.322
local terms energy: -65.514367
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -10.765
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: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -190.278843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.278843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.278843 (E_RNA)
where:
Base-Base interactions energy: -131.070
where: short stacking energy: -62.456
Base-Backbone interact. energy: -0.008
local terms energy: -59.200775
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -2.914
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: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -157.816557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.816557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.816557 (E_RNA)
where:
Base-Base interactions energy: -95.172
where: short stacking energy: -48.496
Base-Backbone interact. energy: -0.980
local terms energy: -61.664387
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -152.172339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.172339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.172339 (E_RNA)
where:
Base-Base interactions energy: -96.588
where: short stacking energy: -47.297
Base-Backbone interact. energy: -0.227
local terms energy: -55.357886
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -10.020
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: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -84.180907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.180907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.180907 (E_RNA)
where:
Base-Base interactions energy: -26.367
where: short stacking energy: -21.333
Base-Backbone interact. energy: -0.022
local terms energy: -57.791763
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -8.234
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -7.408
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: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -87.632394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.632394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.632394 (E_RNA)
where:
Base-Base interactions energy: -31.565
where: short stacking energy: -31.488
Base-Backbone interact. energy: -0.106
local terms energy: -55.961826
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -83.361058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.361058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.361058 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -23.765
Base-Backbone interact. energy: -0.805
local terms energy: -53.417381
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -233.598901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.598901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.598901 (E_RNA)
where:
Base-Base interactions energy: -151.216
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.007
local terms energy: -82.375964
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -13.424
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: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -201.075715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.075715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.075715 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -58.199
Base-Backbone interact. energy: -0.023
local terms energy: -67.181068
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -15.612
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: 259
Temperature: 1.000000
Total energy: -222.836363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.836363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.836363 (E_RNA)
where:
Base-Base interactions energy: -149.993
where: short stacking energy: -65.286
Base-Backbone interact. energy: -0.710
local terms energy: -72.132938
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -201.010647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.010647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.010647 (E_RNA)
where:
Base-Base interactions energy: -131.250
where: short stacking energy: -59.121
Base-Backbone interact. energy: -0.009
local terms energy: -69.751658
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -193.438249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.438249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.438249 (E_RNA)
where:
Base-Base interactions energy: -130.167
where: short stacking energy: -58.543
Base-Backbone interact. energy: -0.638
local terms energy: -62.633384
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -164.479350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.479350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.479350 (E_RNA)
where:
Base-Base interactions energy: -102.224
where: short stacking energy: -45.327
Base-Backbone interact. energy: -0.763
local terms energy: -61.492875
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -134.067634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.067634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.067634 (E_RNA)
where:
Base-Base interactions energy: -80.778
where: short stacking energy: -40.719
Base-Backbone interact. energy: -0.073
local terms energy: -53.216580
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -9.484
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -8.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -91.556278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.556278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.556278 (E_RNA)
where:
Base-Base interactions energy: -39.294
where: short stacking energy: -25.176
Base-Backbone interact. energy: -0.110
local terms energy: -52.152168
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -81.718645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.718645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.718645 (E_RNA)
where:
Base-Base interactions energy: -33.021
where: short stacking energy: -25.128
Base-Backbone interact. energy: 0.571
local terms energy: -49.268592
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -0.854
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: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -72.731014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.731014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.731014 (E_RNA)
where:
Base-Base interactions energy: -22.286
where: short stacking energy: -21.013
Base-Backbone interact. energy: -0.058
local terms energy: -50.386804
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -232.911170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.911170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.911170 (E_RNA)
where:
Base-Base interactions energy: -153.438
where: short stacking energy: -74.149
Base-Backbone interact. energy: -0.038
local terms energy: -79.434648
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -207.405872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.405872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.405872 (E_RNA)
where:
Base-Base interactions energy: -135.360
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.119
local terms energy: -71.926990
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -16.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -204.753631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.753631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.753631 (E_RNA)
where:
Base-Base interactions energy: -139.405
where: short stacking energy: -60.803
Base-Backbone interact. energy: -0.105
local terms energy: -65.243717
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -13.953
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: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -199.396678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.396678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.396678 (E_RNA)
where:
Base-Base interactions energy: -130.985
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.204
local terms energy: -68.207910
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -4.461
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: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -197.832683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.832683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.832683 (E_RNA)
where:
Base-Base interactions energy: -132.258
where: short stacking energy: -62.429
Base-Backbone interact. energy: -0.524
local terms energy: -65.051448
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -144.483554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.483554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.483554 (E_RNA)
where:
Base-Base interactions energy: -84.306
where: short stacking energy: -43.231
Base-Backbone interact. energy: 1.142
local terms energy: -61.320141
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -7.638
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: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -136.627365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.627365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.627365 (E_RNA)
where:
Base-Base interactions energy: -90.695
where: short stacking energy: -44.320
Base-Backbone interact. energy: -0.057
local terms energy: -45.875865
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -83.068186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.068186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.068186 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -26.239
Base-Backbone interact. energy: 0.962
local terms energy: -51.283063
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -92.505918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.505918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.505918 (E_RNA)
where:
Base-Base interactions energy: -38.677
where: short stacking energy: -29.143
Base-Backbone interact. energy: -0.586
local terms energy: -53.242971
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -76.933401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.933401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.933401 (E_RNA)
where:
Base-Base interactions energy: -24.969
where: short stacking energy: -24.969
Base-Backbone interact. energy: 0.119
local terms energy: -52.083851
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -4.928
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: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -226.675231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.675231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.675231 (E_RNA)
where:
Base-Base interactions energy: -149.721
where: short stacking energy: -79.844
Base-Backbone interact. energy: -0.126
local terms energy: -76.828143
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -18.120
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -204.938044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.938044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.938044 (E_RNA)
where:
Base-Base interactions energy: -129.432
where: short stacking energy: -65.077
Base-Backbone interact. energy: -0.067
local terms energy: -75.439443
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -195.386420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.386420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.386420 (E_RNA)
where:
Base-Base interactions energy: -126.682
where: short stacking energy: -64.599
Base-Backbone interact. energy: -0.002
local terms energy: -68.703076
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -215.702730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.702730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.702730 (E_RNA)
where:
Base-Base interactions energy: -148.018
where: short stacking energy: -62.133
Base-Backbone interact. energy: -0.674
local terms energy: -67.010606
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -14.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -178.477400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.477400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.477400 (E_RNA)
where:
Base-Base interactions energy: -114.139
where: short stacking energy: -52.715
Base-Backbone interact. energy: -0.085
local terms energy: -64.254001
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -145.736822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.736822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.736822 (E_RNA)
where:
Base-Base interactions energy: -80.491
where: short stacking energy: -52.037
Base-Backbone interact. energy: -0.008
local terms energy: -65.237820
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -8.845
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: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -122.707209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.707209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.707209 (E_RNA)
where:
Base-Base interactions energy: -63.819
where: short stacking energy: -29.930
Base-Backbone interact. energy: -0.156
local terms energy: -58.732440
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -84.737677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.737677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.737677 (E_RNA)
where:
Base-Base interactions energy: -40.938
where: short stacking energy: -33.828
Base-Backbone interact. energy: -0.118
local terms energy: -43.681832
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -136.363698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.363698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.363698 (E_RNA)
where:
Base-Base interactions energy: -90.159
where: short stacking energy: -29.945
Base-Backbone interact. energy: 0.298
local terms energy: -46.502495
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -84.634178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.634178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.634178 (E_RNA)
where:
Base-Base interactions energy: -41.001
where: short stacking energy: -29.440
Base-Backbone interact. energy: -0.927
local terms energy: -42.706860
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -5.257
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -4.684
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: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -202.002759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.002759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.002759 (E_RNA)
where:
Base-Base interactions energy: -130.339
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.590
local terms energy: -71.073652
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -16.237
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: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -230.834831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.834831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.834831 (E_RNA)
where:
Base-Base interactions energy: -151.532
where: short stacking energy: -75.423
Base-Backbone interact. energy: 0.088
local terms energy: -79.391098
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -13.609
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: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -223.424310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.424310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.424310 (E_RNA)
where:
Base-Base interactions energy: -151.967
where: short stacking energy: -62.440
Base-Backbone interact. energy: -0.384
local terms energy: -71.072713
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -196.183703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.183703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.183703 (E_RNA)
where:
Base-Base interactions energy: -120.339
where: short stacking energy: -56.438
Base-Backbone interact. energy: -0.140
local terms energy: -75.704195
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -180.873835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.873835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.873835 (E_RNA)
where:
Base-Base interactions energy: -116.615
where: short stacking energy: -53.554
Base-Backbone interact. energy: -0.004
local terms energy: -64.255581
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -12.931
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: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -133.316168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.316168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.316168 (E_RNA)
where:
Base-Base interactions energy: -69.788
where: short stacking energy: -41.752
Base-Backbone interact. energy: -0.070
local terms energy: -63.458594
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -6.373
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: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -140.805087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.805087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.805087 (E_RNA)
where:
Base-Base interactions energy: -87.431
where: short stacking energy: -46.747
Base-Backbone interact. energy: -0.666
local terms energy: -52.707698
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -92.657810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.657810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.657810 (E_RNA)
where:
Base-Base interactions energy: -38.694
where: short stacking energy: -29.253
Base-Backbone interact. energy: 1.143
local terms energy: -55.107036
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -9.286
flat angles P-C4'-P energy: -8.736
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: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -142.645645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.645645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.645645 (E_RNA)
where:
Base-Base interactions energy: -95.579
where: short stacking energy: -34.892
Base-Backbone interact. energy: -0.221
local terms energy: -46.845243
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -75.638149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.638149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.638149 (E_RNA)
where:
Base-Base interactions energy: -30.534
where: short stacking energy: -27.595
Base-Backbone interact. energy: -0.656
local terms energy: -44.448761
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -204.235675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.235675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.235675 (E_RNA)
where:
Base-Base interactions energy: -131.483
where: short stacking energy: -72.160
Base-Backbone interact. energy: -0.007
local terms energy: -72.746149
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -213.174540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.174540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.174540 (E_RNA)
where:
Base-Base interactions energy: -141.294
where: short stacking energy: -56.413
Base-Backbone interact. energy: -0.502
local terms energy: -71.378993
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -234.570250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.570250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.570250 (E_RNA)
where:
Base-Base interactions energy: -157.327
where: short stacking energy: -74.015
Base-Backbone interact. energy: -0.001
local terms energy: -77.243112
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -21.354
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: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -188.812500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.812500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.812500 (E_RNA)
where:
Base-Base interactions energy: -122.627
where: short stacking energy: -62.586
Base-Backbone interact. energy: -0.242
local terms energy: -65.943833
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -9.281
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -185.242595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.242595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.242595 (E_RNA)
where:
Base-Base interactions energy: -121.068
where: short stacking energy: -65.087
Base-Backbone interact. energy: -0.036
local terms energy: -64.138933
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -15.435
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: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -147.370128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.370128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.370128 (E_RNA)
where:
Base-Base interactions energy: -95.107
where: short stacking energy: -54.020
Base-Backbone interact. energy: -1.038
local terms energy: -51.225579
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -129.334086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.334086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.334086 (E_RNA)
where:
Base-Base interactions energy: -81.975
where: short stacking energy: -40.708
Base-Backbone interact. energy: -0.173
local terms energy: -47.185860
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -4.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -122.667607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.667607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.667607 (E_RNA)
where:
Base-Base interactions energy: -73.377
where: short stacking energy: -37.326
Base-Backbone interact. energy: 1.419
local terms energy: -50.709352
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -5.242
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: 263
Temperature: 1.300000
Total energy: -76.045942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.045942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.045942 (E_RNA)
where:
Base-Base interactions energy: -25.036
where: short stacking energy: -11.726
Base-Backbone interact. energy: -0.422
local terms energy: -50.588311
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: 1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -81.530897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.530897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.530897 (E_RNA)
where:
Base-Base interactions energy: -35.337
where: short stacking energy: -19.101
Base-Backbone interact. energy: -0.083
local terms energy: -46.110783
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -221.458419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.458419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.458419 (E_RNA)
where:
Base-Base interactions energy: -158.413
where: short stacking energy: -68.236
Base-Backbone interact. energy: -0.137
local terms energy: -62.908077
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -200.859216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.859216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.859216 (E_RNA)
where:
Base-Base interactions energy: -129.930
where: short stacking energy: -66.435
Base-Backbone interact. energy: -0.009
local terms energy: -70.919973
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -16.701
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: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -198.538502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.538502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.538502 (E_RNA)
where:
Base-Base interactions energy: -131.397
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.210
local terms energy: -66.930829
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -7.125
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: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -210.043270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.043270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.043270 (E_RNA)
where:
Base-Base interactions energy: -130.174
where: short stacking energy: -63.875
Base-Backbone interact. energy: -0.326
local terms energy: -79.543490
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -182.414088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.414088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.414088 (E_RNA)
where:
Base-Base interactions energy: -119.516
where: short stacking energy: -55.947
Base-Backbone interact. energy: -0.018
local terms energy: -62.880656
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -137.026936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.026936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.026936 (E_RNA)
where:
Base-Base interactions energy: -81.380
where: short stacking energy: -49.761
Base-Backbone interact. energy: 0.186
local terms energy: -55.832788
where:
bonds (distance) C4'-P energy: -9.149
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -9.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -139.443212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.443212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.443212 (E_RNA)
where:
Base-Base interactions energy: -90.342
where: short stacking energy: -43.640
Base-Backbone interact. energy: -0.568
local terms energy: -48.532907
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -117.156763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.156763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.156763 (E_RNA)
where:
Base-Base interactions energy: -67.973
where: short stacking energy: -29.772
Base-Backbone interact. energy: 0.209
local terms energy: -49.392040
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -7.417
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -0.517
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: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -86.031438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.031438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.031438 (E_RNA)
where:
Base-Base interactions energy: -29.567
where: short stacking energy: -29.567
Base-Backbone interact. energy: 0.107
local terms energy: -56.572312
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -89.789477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.789477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.789477 (E_RNA)
where:
Base-Base interactions energy: -42.220
where: short stacking energy: -42.220
Base-Backbone interact. energy: -0.425
local terms energy: -47.144230
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -210.794883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.794883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.794883 (E_RNA)
where:
Base-Base interactions energy: -145.682
where: short stacking energy: -58.389
Base-Backbone interact. energy: 0.548
local terms energy: -65.660829
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -12.456
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: 265
Temperature: 0.950000
Total energy: -198.046802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.046802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.046802 (E_RNA)
where:
Base-Base interactions energy: -126.456
where: short stacking energy: -65.311
Base-Backbone interact. energy: -0.006
local terms energy: -71.584569
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -207.516026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.516026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.516026 (E_RNA)
where:
Base-Base interactions energy: -140.653
where: short stacking energy: -68.617
Base-Backbone interact. energy: -0.395
local terms energy: -66.467966
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -9.246
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: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -183.649752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.649752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.649752 (E_RNA)
where:
Base-Base interactions energy: -121.190
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.003
local terms energy: -62.456666
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -186.161273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.161273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.161273 (E_RNA)
where:
Base-Base interactions energy: -123.112
where: short stacking energy: -61.510
Base-Backbone interact. energy: -0.005
local terms energy: -63.044392
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -14.530
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: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -141.416318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.416318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.416318 (E_RNA)
where:
Base-Base interactions energy: -84.630
where: short stacking energy: -46.578
Base-Backbone interact. energy: 0.782
local terms energy: -57.568197
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -8.348
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: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -137.151628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.151628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.151628 (E_RNA)
where:
Base-Base interactions energy: -77.051
where: short stacking energy: -39.236
Base-Backbone interact. energy: -0.156
local terms energy: -59.944253
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -110.542642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.542642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.542642 (E_RNA)
where:
Base-Base interactions energy: -61.691
where: short stacking energy: -34.530
Base-Backbone interact. energy: -0.132
local terms energy: -48.719323
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -3.060
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -80.170198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.170198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.170198 (E_RNA)
where:
Base-Base interactions energy: -28.913
where: short stacking energy: -23.765
Base-Backbone interact. energy: -0.124
local terms energy: -51.132934
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -80.265363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.265363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.265363 (E_RNA)
where:
Base-Base interactions energy: -37.375
where: short stacking energy: -29.555
Base-Backbone interact. energy: 1.376
local terms energy: -44.266804
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -9.388
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: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -220.393103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.393103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.393103 (E_RNA)
where:
Base-Base interactions energy: -140.391
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.389
local terms energy: -79.612845
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -14.777
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: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -198.262268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.262268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.262268 (E_RNA)
where:
Base-Base interactions energy: -126.904
where: short stacking energy: -56.028
Base-Backbone interact. energy: -0.101
local terms energy: -71.257628
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -15.076
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: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -203.620206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.620206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.620206 (E_RNA)
where:
Base-Base interactions energy: -137.672
where: short stacking energy: -57.647
Base-Backbone interact. energy: -0.510
local terms energy: -65.437501
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -192.243299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.243299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.243299 (E_RNA)
where:
Base-Base interactions energy: -130.578
where: short stacking energy: -55.019
Base-Backbone interact. energy: 0.103
local terms energy: -61.768208
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -203.345313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.345313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.345313 (E_RNA)
where:
Base-Base interactions energy: -128.392
where: short stacking energy: -60.725
Base-Backbone interact. energy: -0.174
local terms energy: -74.778673
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -150.598682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.598682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.598682 (E_RNA)
where:
Base-Base interactions energy: -91.851
where: short stacking energy: -46.259
Base-Backbone interact. energy: -0.588
local terms energy: -58.158825
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -98.883550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.883550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.883550 (E_RNA)
where:
Base-Base interactions energy: -37.928
where: short stacking energy: -37.928
Base-Backbone interact. energy: -0.070
local terms energy: -60.885330
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -125.469490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.469490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.469490 (E_RNA)
where:
Base-Base interactions energy: -74.841
where: short stacking energy: -29.149
Base-Backbone interact. energy: 0.002
local terms energy: -50.631337
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -3.070
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: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -77.721279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.721279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.721279 (E_RNA)
where:
Base-Base interactions energy: -22.187
where: short stacking energy: -21.025
Base-Backbone interact. energy: -0.044
local terms energy: -55.490455
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -80.652228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.652228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.652228 (E_RNA)
where:
Base-Base interactions energy: -40.696
where: short stacking energy: -27.274
Base-Backbone interact. energy: -0.166
local terms energy: -39.790439
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -223.487551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.487551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.487551 (E_RNA)
where:
Base-Base interactions energy: -154.486
where: short stacking energy: -68.596
Base-Backbone interact. energy: -0.192
local terms energy: -68.809408
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -14.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -212.141407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.141407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.141407 (E_RNA)
where:
Base-Base interactions energy: -141.595
where: short stacking energy: -58.181
Base-Backbone interact. energy: -0.310
local terms energy: -70.236069
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -13.042
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: 267
Temperature: 1.000000
Total energy: -199.399162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.399162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.399162 (E_RNA)
where:
Base-Base interactions energy: -137.419
where: short stacking energy: -54.711
Base-Backbone interact. energy: -0.003
local terms energy: -61.977172
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -11.844
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: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -189.104436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.104436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.104436 (E_RNA)
where:
Base-Base interactions energy: -120.576
where: short stacking energy: -53.707
Base-Backbone interact. energy: -0.112
local terms energy: -68.417094
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -200.611291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.611291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.611291 (E_RNA)
where:
Base-Base interactions energy: -135.320
where: short stacking energy: -75.357
Base-Backbone interact. energy: -0.071
local terms energy: -65.220416
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -136.844114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.844114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.844114 (E_RNA)
where:
Base-Base interactions energy: -78.334
where: short stacking energy: -39.096
Base-Backbone interact. energy: -0.395
local terms energy: -58.115405
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.770
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -109.650037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.650037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.650037 (E_RNA)
where:
Base-Base interactions energy: -49.209
where: short stacking energy: -31.550
Base-Backbone interact. energy: -0.106
local terms energy: -60.334472
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -136.362150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.362150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.362150 (E_RNA)
where:
Base-Base interactions energy: -81.177
where: short stacking energy: -39.709
Base-Backbone interact. energy: -0.624
local terms energy: -54.561362
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -90.602292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.602292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.602292 (E_RNA)
where:
Base-Base interactions energy: -37.018
where: short stacking energy: -29.431
Base-Backbone interact. energy: -0.168
local terms energy: -53.416724
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -8.751
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -81.121748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.121748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.121748 (E_RNA)
where:
Base-Base interactions energy: -31.629
where: short stacking energy: -27.298
Base-Backbone interact. energy: 2.055
local terms energy: -51.546878
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -8.012
flat angles P-C4'-P energy: -6.139
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: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -217.413635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.413635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.413635 (E_RNA)
where:
Base-Base interactions energy: -154.435
where: short stacking energy: -62.217
Base-Backbone interact. energy: 1.990
local terms energy: -64.968219
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -13.704
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: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -205.408220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.408220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.408220 (E_RNA)
where:
Base-Base interactions energy: -128.893
where: short stacking energy: -58.391
Base-Backbone interact. energy: -0.043
local terms energy: -76.471903
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -8.682
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: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -184.720919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.720919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.720919 (E_RNA)
where:
Base-Base interactions energy: -118.762
where: short stacking energy: -51.745
Base-Backbone interact. energy: -0.151
local terms energy: -65.807853
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -187.009649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.009649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.009649 (E_RNA)
where:
Base-Base interactions energy: -121.597
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.126
local terms energy: -65.286390
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -8.508
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -143.435952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.435952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.435952 (E_RNA)
where:
Base-Base interactions energy: -84.196
where: short stacking energy: -37.583
Base-Backbone interact. energy: -0.416
local terms energy: -58.823940
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -209.952269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.952269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.952269 (E_RNA)
where:
Base-Base interactions energy: -134.519
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.001
local terms energy: -75.431624
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -18.731
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: 7, replica: 4
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -132.464933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.464933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.464933 (E_RNA)
where:
Base-Base interactions energy: -76.438
where: short stacking energy: -38.421
Base-Backbone interact. energy: -0.206
local terms energy: -55.821306
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -103.951675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.951675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.951675 (E_RNA)
where:
Base-Base interactions energy: -42.551
where: short stacking energy: -32.901
Base-Backbone interact. energy: -0.002
local terms energy: -61.399497
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -8.633
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: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -117.303989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.303989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.303989 (E_RNA)
where:
Base-Base interactions energy: -66.949
where: short stacking energy: -40.373
Base-Backbone interact. energy: -0.356
local terms energy: -49.999433
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -9.318
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -9.643
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: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -103.298101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.298101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.298101 (E_RNA)
where:
Base-Base interactions energy: -60.370
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.096
local terms energy: -42.831744
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -4.644
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: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -224.999628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.999628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.999628 (E_RNA)
where:
Base-Base interactions energy: -159.347
where: short stacking energy: -62.449
Base-Backbone interact. energy: -0.146
local terms energy: -65.506254
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -14.201
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: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -185.558004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.558004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.558004 (E_RNA)
where:
Base-Base interactions energy: -117.471
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.050
local terms energy: -68.036947
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -13.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -190.701845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.701845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.701845 (E_RNA)
where:
Base-Base interactions energy: -124.339
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.099
local terms energy: -66.263973
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -170.496226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.496226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.496226 (E_RNA)
where:
Base-Base interactions energy: -95.256
where: short stacking energy: -56.326
Base-Backbone interact. energy: -0.056
local terms energy: -75.183595
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -186.534207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.534207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.534207 (E_RNA)
where:
Base-Base interactions energy: -130.459
where: short stacking energy: -49.409
Base-Backbone interact. energy: -0.314
local terms energy: -55.760625
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -202.206949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.206949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.206949 (E_RNA)
where:
Base-Base interactions energy: -130.919
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.100
local terms energy: -71.187525
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -106.737717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.737717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.737717 (E_RNA)
where:
Base-Base interactions energy: -64.967
where: short stacking energy: -29.789
Base-Backbone interact. energy: -0.211
local terms energy: -41.559788
where:
bonds (distance) C4'-P energy: -4.124
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -3.082
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: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -94.298800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.298800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.298800 (E_RNA)
where:
Base-Base interactions energy: -41.571
where: short stacking energy: -37.739
Base-Backbone interact. energy: -0.489
local terms energy: -52.238719
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -7.134
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -81.596018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.596018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.596018 (E_RNA)
where:
Base-Base interactions energy: -29.644
where: short stacking energy: -23.541
Base-Backbone interact. energy: -0.032
local terms energy: -51.919650
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -130.410423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.410423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.410423 (E_RNA)
where:
Base-Base interactions energy: -79.598
where: short stacking energy: -42.235
Base-Backbone interact. energy: -0.232
local terms energy: -50.580654
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -5.615
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: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -208.837481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.837481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.837481 (E_RNA)
where:
Base-Base interactions energy: -130.917
where: short stacking energy: -66.833
Base-Backbone interact. energy: -0.060
local terms energy: -77.860174
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -220.974182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.974182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.974182 (E_RNA)
where:
Base-Base interactions energy: -153.030
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.333
local terms energy: -67.611599
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -189.805954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.805954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.805954 (E_RNA)
where:
Base-Base interactions energy: -119.613
where: short stacking energy: -52.433
Base-Backbone interact. energy: -0.297
local terms energy: -69.896272
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -160.109558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.109558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.109558 (E_RNA)
where:
Base-Base interactions energy: -87.536
where: short stacking energy: -58.917
Base-Backbone interact. energy: -0.017
local terms energy: -72.557479
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -181.639415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.639415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.639415 (E_RNA)
where:
Base-Base interactions energy: -114.010
where: short stacking energy: -43.898
Base-Backbone interact. energy: 1.524
local terms energy: -69.152806
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -10.044
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: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -191.556969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.556969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.556969 (E_RNA)
where:
Base-Base interactions energy: -120.572
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.376
local terms energy: -70.608879
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -88.239612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.239612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.239612 (E_RNA)
where:
Base-Base interactions energy: -27.995
where: short stacking energy: -27.655
Base-Backbone interact. energy: -0.013
local terms energy: -60.231702
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -6.944
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: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -101.737963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.737963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.737963 (E_RNA)
where:
Base-Base interactions energy: -46.696
where: short stacking energy: -36.917
Base-Backbone interact. energy: -0.189
local terms energy: -54.853318
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -142.215809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.215809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.215809 (E_RNA)
where:
Base-Base interactions energy: -85.525
where: short stacking energy: -35.444
Base-Backbone interact. energy: 0.214
local terms energy: -56.905460
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -5.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -74.920756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.920756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.920756 (E_RNA)
where:
Base-Base interactions energy: -21.009
where: short stacking energy: -21.009
Base-Backbone interact. energy: -0.123
local terms energy: -53.788941
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -8.023
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: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -213.174805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.174805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.174805 (E_RNA)
where:
Base-Base interactions energy: -138.456
where: short stacking energy: -63.774
Base-Backbone interact. energy: -0.039
local terms energy: -74.679457
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -208.069238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.069238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.069238 (E_RNA)
where:
Base-Base interactions energy: -148.023
where: short stacking energy: -60.759
Base-Backbone interact. energy: -0.343
local terms energy: -59.703227
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -208.414106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.414106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.414106 (E_RNA)
where:
Base-Base interactions energy: -135.933
where: short stacking energy: -62.494
Base-Backbone interact. energy: -0.139
local terms energy: -72.341719
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -200.013084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.013084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.013084 (E_RNA)
where:
Base-Base interactions energy: -135.130
where: short stacking energy: -67.710
Base-Backbone interact. energy: -0.099
local terms energy: -64.784393
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -144.173289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.173289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.173289 (E_RNA)
where:
Base-Base interactions energy: -82.831
where: short stacking energy: -45.803
Base-Backbone interact. energy: -0.029
local terms energy: -61.313012
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -9.482
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: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -183.555742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.555742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.555742 (E_RNA)
where:
Base-Base interactions energy: -114.414
where: short stacking energy: -53.446
Base-Backbone interact. energy: -0.005
local terms energy: -69.137244
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -13.601
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: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -113.529782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.529782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.529782 (E_RNA)
where:
Base-Base interactions energy: -65.196
where: short stacking energy: -43.361
Base-Backbone interact. energy: -0.099
local terms energy: -48.235055
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -2.910
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -125.288086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.288086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.288086 (E_RNA)
where:
Base-Base interactions energy: -80.088
where: short stacking energy: -36.667
Base-Backbone interact. energy: -0.323
local terms energy: -44.877038
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -2.349
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: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -85.246775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.246775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.246775 (E_RNA)
where:
Base-Base interactions energy: -37.209
where: short stacking energy: -28.217
Base-Backbone interact. energy: -1.270
local terms energy: -46.767612
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -82.689140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.689140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.689140 (E_RNA)
where:
Base-Base interactions energy: -41.746
where: short stacking energy: -26.181
Base-Backbone interact. energy: -0.036
local terms energy: -40.906297
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -5.448
flat angles C4'-P-C4' energy: -8.819
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -1.239
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: 272
Temperature: 0.900000
Total energy: -222.009834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.009834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.009834 (E_RNA)
where:
Base-Base interactions energy: -153.990
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.168
local terms energy: -67.851782
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -221.950135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.950135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.950135 (E_RNA)
where:
Base-Base interactions energy: -156.794
where: short stacking energy: -58.145
Base-Backbone interact. energy: 0.248
local terms energy: -65.403647
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -207.532579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.532579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.532579 (E_RNA)
where:
Base-Base interactions energy: -134.826
where: short stacking energy: -55.806
Base-Backbone interact. energy: -1.062
local terms energy: -71.644586
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -18.147
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: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -205.396756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.396756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.396756 (E_RNA)
where:
Base-Base interactions energy: -129.854
where: short stacking energy: -56.904
Base-Backbone interact. energy: 1.065
local terms energy: -76.607441
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -194.111553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.111553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.111553 (E_RNA)
where:
Base-Base interactions energy: -129.270
where: short stacking energy: -52.240
Base-Backbone interact. energy: -0.128
local terms energy: -64.714205
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -152.137905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.137905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.137905 (E_RNA)
where:
Base-Base interactions energy: -88.375
where: short stacking energy: -47.585
Base-Backbone interact. energy: -0.143
local terms energy: -63.620041
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -93.854843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.854843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.854843 (E_RNA)
where:
Base-Base interactions energy: -43.848
where: short stacking energy: -43.848
Base-Backbone interact. energy: -0.076
local terms energy: -49.930626
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -95.017082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.017082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.017082 (E_RNA)
where:
Base-Base interactions energy: -38.880
where: short stacking energy: -35.769
Base-Backbone interact. energy: -0.267
local terms energy: -55.870152
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -8.443
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: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -78.448953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.448953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.448953 (E_RNA)
where:
Base-Base interactions energy: -26.018
where: short stacking energy: -20.478
Base-Backbone interact. energy: -0.788
local terms energy: -51.642319
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -85.748439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.748439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.748439 (E_RNA)
where:
Base-Base interactions energy: -44.286
where: short stacking energy: -38.654
Base-Backbone interact. energy: -0.022
local terms energy: -41.439922
where:
bonds (distance) C4'-P energy: -7.610
bonds (distance) P-C4' energy: -8.346
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -10.780
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: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -227.252306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.252306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.252306 (E_RNA)
where:
Base-Base interactions energy: -154.447
where: short stacking energy: -66.297
Base-Backbone interact. energy: 0.637
local terms energy: -73.442698
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -18.115
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: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -220.845227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.845227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.845227 (E_RNA)
where:
Base-Base interactions energy: -152.684
where: short stacking energy: -54.025
Base-Backbone interact. energy: -0.578
local terms energy: -67.583737
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -200.202801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.202801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.202801 (E_RNA)
where:
Base-Base interactions energy: -132.313
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.014
local terms energy: -67.876013
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -17.736
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: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -201.513757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.513757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.513757 (E_RNA)
where:
Base-Base interactions energy: -129.897
where: short stacking energy: -68.677
Base-Backbone interact. energy: -0.576
local terms energy: -71.041169
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -203.634855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.634855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.634855 (E_RNA)
where:
Base-Base interactions energy: -133.046
where: short stacking energy: -59.018
Base-Backbone interact. energy: 0.533
local terms energy: -71.121802
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -110.357086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.357086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.357086 (E_RNA)
where:
Base-Base interactions energy: -61.843
where: short stacking energy: -32.646
Base-Backbone interact. energy: -0.281
local terms energy: -48.232206
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -164.626723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.626723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.626723 (E_RNA)
where:
Base-Base interactions energy: -111.042
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.068
local terms energy: -53.517107
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -89.232793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.232793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.232793 (E_RNA)
where:
Base-Base interactions energy: -44.171
where: short stacking energy: -24.720
Base-Backbone interact. energy: -0.089
local terms energy: -44.972198
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -87.745141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.745141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.745141 (E_RNA)
where:
Base-Base interactions energy: -42.892
where: short stacking energy: -27.749
Base-Backbone interact. energy: -0.443
local terms energy: -44.410014
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: 2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -86.334095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.334095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.334095 (E_RNA)
where:
Base-Base interactions energy: -48.323
where: short stacking energy: -26.776
Base-Backbone interact. energy: 0.134
local terms energy: -38.145247
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -3.845
tors. eta vs tors. theta energy: 2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -223.938554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.938554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.938554 (E_RNA)
where:
Base-Base interactions energy: -155.383
where: short stacking energy: -68.765
Base-Backbone interact. energy: -0.100
local terms energy: -68.455678
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -222.530319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.530319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.530319 (E_RNA)
where:
Base-Base interactions energy: -156.606
where: short stacking energy: -49.213
Base-Backbone interact. energy: 0.776
local terms energy: -66.699951
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -9.117
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: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -200.079161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.079161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.079161 (E_RNA)
where:
Base-Base interactions energy: -130.047
where: short stacking energy: -64.834
Base-Backbone interact. energy: -0.196
local terms energy: -69.837040
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -17.551
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: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -207.385405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.385405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.385405 (E_RNA)
where:
Base-Base interactions energy: -133.741
where: short stacking energy: -72.050
Base-Backbone interact. energy: -0.012
local terms energy: -73.631743
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -186.280601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.280601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.280601 (E_RNA)
where:
Base-Base interactions energy: -135.957
where: short stacking energy: -61.298
Base-Backbone interact. energy: 0.205
local terms energy: -50.528337
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -5.210
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -12.506
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: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -115.882284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.882284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.882284 (E_RNA)
where:
Base-Base interactions energy: -59.257
where: short stacking energy: -40.138
Base-Backbone interact. energy: -0.212
local terms energy: -56.413994
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -7.463
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -9.835
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: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -102.658345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.658345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.658345 (E_RNA)
where:
Base-Base interactions energy: -44.610
where: short stacking energy: -42.642
Base-Backbone interact. energy: -0.002
local terms energy: -58.046980
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -136.888113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.888113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.888113 (E_RNA)
where:
Base-Base interactions energy: -87.117
where: short stacking energy: -42.826
Base-Backbone interact. energy: -0.062
local terms energy: -49.709749
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -2.318
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: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -85.836268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.836268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.836268 (E_RNA)
where:
Base-Base interactions energy: -30.080
where: short stacking energy: -27.558
Base-Backbone interact. energy: -0.115
local terms energy: -55.641397
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -91.120046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.120046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.120046 (E_RNA)
where:
Base-Base interactions energy: -31.282
where: short stacking energy: -25.505
Base-Backbone interact. energy: -0.204
local terms energy: -59.634445
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -221.779266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.779266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.779266 (E_RNA)
where:
Base-Base interactions energy: -150.928
where: short stacking energy: -68.704
Base-Backbone interact. energy: 0.558
local terms energy: -71.409417
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -8.476
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: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -219.059634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.059634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.059634 (E_RNA)
where:
Base-Base interactions energy: -159.494
where: short stacking energy: -62.788
Base-Backbone interact. energy: -0.384
local terms energy: -59.181732
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -189.299478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.299478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.299478 (E_RNA)
where:
Base-Base interactions energy: -117.079
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.687
local terms energy: -71.534263
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -188.900104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.900104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.900104 (E_RNA)
where:
Base-Base interactions energy: -123.571
where: short stacking energy: -55.849
Base-Backbone interact. energy: 0.620
local terms energy: -65.949123
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -16.405
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: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -200.677741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.677741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.677741 (E_RNA)
where:
Base-Base interactions energy: -127.455
where: short stacking energy: -63.818
Base-Backbone interact. energy: -0.043
local terms energy: -73.180403
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -97.599960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.599960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.599960 (E_RNA)
where:
Base-Base interactions energy: -41.826
where: short stacking energy: -41.826
Base-Backbone interact. energy: -0.171
local terms energy: -55.602553
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -11.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -142.671084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.671084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.671084 (E_RNA)
where:
Base-Base interactions energy: -88.853
where: short stacking energy: -42.467
Base-Backbone interact. energy: -0.431
local terms energy: -53.387629
where:
bonds (distance) C4'-P energy: -7.708
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -12.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -119.213998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.213998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.213998 (E_RNA)
where:
Base-Base interactions energy: -74.850
where: short stacking energy: -43.266
Base-Backbone interact. energy: -0.007
local terms energy: -44.357139
where:
bonds (distance) C4'-P energy: -6.743
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -4.242
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -87.492792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.492792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.492792 (E_RNA)
where:
Base-Base interactions energy: -35.559
where: short stacking energy: -29.604
Base-Backbone interact. energy: -0.340
local terms energy: -51.594635
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -97.462969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.462969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.462969 (E_RNA)
where:
Base-Base interactions energy: -57.324
where: short stacking energy: -20.331
Base-Backbone interact. energy: -1.161
local terms energy: -38.977517
where:
bonds (distance) C4'-P energy: -7.240
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: 2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -222.905587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.905587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.905587 (E_RNA)
where:
Base-Base interactions energy: -154.102
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.301
local terms energy: -68.502538
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -218.977547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.977547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.977547 (E_RNA)
where:
Base-Base interactions energy: -153.936
where: short stacking energy: -64.697
Base-Backbone interact. energy: -0.611
local terms energy: -64.430496
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -3.180
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -187.877271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.877271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.877271 (E_RNA)
where:
Base-Base interactions energy: -122.793
where: short stacking energy: -57.369
Base-Backbone interact. energy: -0.037
local terms energy: -65.047045
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -188.157289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.157289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.157289 (E_RNA)
where:
Base-Base interactions energy: -121.759
where: short stacking energy: -47.090
Base-Backbone interact. energy: 0.660
local terms energy: -67.058979
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -199.479618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.479618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.479618 (E_RNA)
where:
Base-Base interactions energy: -133.818
where: short stacking energy: -63.123
Base-Backbone interact. energy: -0.003
local terms energy: -65.659167
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -19.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -111.284491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.284491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.284491 (E_RNA)
where:
Base-Base interactions energy: -57.999
where: short stacking energy: -31.147
Base-Backbone interact. energy: -0.240
local terms energy: -53.045679
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -101.835549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.835549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.835549 (E_RNA)
where:
Base-Base interactions energy: -43.798
where: short stacking energy: -33.389
Base-Backbone interact. energy: -0.459
local terms energy: -57.578439
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -9.613
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: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -106.869009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.869009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.869009 (E_RNA)
where:
Base-Base interactions energy: -58.930
where: short stacking energy: -30.866
Base-Backbone interact. energy: 0.651
local terms energy: -48.590105
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -5.586
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: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -78.690606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.690606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.690606 (E_RNA)
where:
Base-Base interactions energy: -32.842
where: short stacking energy: -12.183
Base-Backbone interact. energy: 1.057
local terms energy: -46.905560
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -5.707
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: 10, replica: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -75.428394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.428394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.428394 (E_RNA)
where:
Base-Base interactions energy: -29.407
where: short stacking energy: -23.411
Base-Backbone interact. energy: -0.078
local terms energy: -45.943761
where:
bonds (distance) C4'-P energy: -8.234
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -1.465
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: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -218.632501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.632501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.632501 (E_RNA)
where:
Base-Base interactions energy: -148.627
where: short stacking energy: -59.170
Base-Backbone interact. energy: -0.381
local terms energy: -69.624655
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -203.095589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.095589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.095589 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -70.259
Base-Backbone interact. energy: -0.270
local terms energy: -68.539175
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -192.954357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.954357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.954357 (E_RNA)
where:
Base-Base interactions energy: -125.214
where: short stacking energy: -62.746
Base-Backbone interact. energy: -0.004
local terms energy: -67.737169
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -225.928511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.928511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.928511 (E_RNA)
where:
Base-Base interactions energy: -149.776
where: short stacking energy: -71.173
Base-Backbone interact. energy: -0.007
local terms energy: -76.145162
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -188.634961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.634961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.634961 (E_RNA)
where:
Base-Base interactions energy: -128.408
where: short stacking energy: -55.802
Base-Backbone interact. energy: 1.223
local terms energy: -61.450640
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -2.486
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -100.628402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.628402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.628402 (E_RNA)
where:
Base-Base interactions energy: -41.560
where: short stacking energy: -37.093
Base-Backbone interact. energy: -0.019
local terms energy: -59.050122
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -107.956189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.956189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.956189 (E_RNA)
where:
Base-Base interactions energy: -66.716
where: short stacking energy: -34.383
Base-Backbone interact. energy: -0.100
local terms energy: -41.140159
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -87.971076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.971076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.971076 (E_RNA)
where:
Base-Base interactions energy: -39.332
where: short stacking energy: -31.101
Base-Backbone interact. energy: -0.673
local terms energy: -47.966148
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -9.016
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: 277
Temperature: 1.300000
Total energy: -79.080999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.080999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.080999 (E_RNA)
where:
Base-Base interactions energy: -35.101
where: short stacking energy: -21.910
Base-Backbone interact. energy: -0.336
local terms energy: -43.643978
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: 2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -79.636353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.636353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.636353 (E_RNA)
where:
Base-Base interactions energy: -31.159
where: short stacking energy: -20.688
Base-Backbone interact. energy: -0.915
local terms energy: -47.562281
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: 0.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -205.462667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.462667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.462667 (E_RNA)
where:
Base-Base interactions energy: -134.209
where: short stacking energy: -71.660
Base-Backbone interact. energy: -0.013
local terms energy: -71.241046
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -213.652365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.652365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.652365 (E_RNA)
where:
Base-Base interactions energy: -159.506
where: short stacking energy: -49.539
Base-Backbone interact. energy: -0.798
local terms energy: -53.347545
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -10.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -226.252588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.252588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.252588 (E_RNA)
where:
Base-Base interactions energy: -147.214
where: short stacking energy: -67.870
Base-Backbone interact. energy: -0.005
local terms energy: -79.033710
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -182.741184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.741184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.741184 (E_RNA)
where:
Base-Base interactions energy: -120.062
where: short stacking energy: -60.668
Base-Backbone interact. energy: -0.004
local terms energy: -62.674478
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -4.821
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -183.836113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.836113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.836113 (E_RNA)
where:
Base-Base interactions energy: -123.458
where: short stacking energy: -52.724
Base-Backbone interact. energy: 0.252
local terms energy: -60.630564
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -108.207729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.207729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.207729 (E_RNA)
where:
Base-Base interactions energy: -53.935
where: short stacking energy: -41.842
Base-Backbone interact. energy: -1.033
local terms energy: -53.239110
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -125.438957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.438957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.438957 (E_RNA)
where:
Base-Base interactions energy: -71.365
where: short stacking energy: -27.432
Base-Backbone interact. energy: -0.180
local terms energy: -53.894012
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: 3.496
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: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -87.354240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.354240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.354240 (E_RNA)
where:
Base-Base interactions energy: -45.015
where: short stacking energy: -45.015
Base-Backbone interact. energy: -0.136
local terms energy: -42.203248
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: 1.683
tors. eta vs tors. theta energy: -3.366
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: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -83.320981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.320981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.320981 (E_RNA)
where:
Base-Base interactions energy: -30.157
where: short stacking energy: -30.157
Base-Backbone interact. energy: -0.150
local terms energy: -53.013240
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -72.149496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.149496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.149496 (E_RNA)
where:
Base-Base interactions energy: -24.106
where: short stacking energy: -24.106
Base-Backbone interact. energy: 0.881
local terms energy: -48.923734
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -4.339
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: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -201.678951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.678951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.678951 (E_RNA)
where:
Base-Base interactions energy: -132.673
where: short stacking energy: -70.677
Base-Backbone interact. energy: -0.062
local terms energy: -68.943939
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -220.991050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.991050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.991050 (E_RNA)
where:
Base-Base interactions energy: -137.538
where: short stacking energy: -67.864
Base-Backbone interact. energy: -0.007
local terms energy: -83.445238
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -13.151
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: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -214.779136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.779136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.779136 (E_RNA)
where:
Base-Base interactions energy: -148.316
where: short stacking energy: -60.252
Base-Backbone interact. energy: -0.615
local terms energy: -65.848891
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -187.935774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.935774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.935774 (E_RNA)
where:
Base-Base interactions energy: -122.078
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.106
local terms energy: -65.751604
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -14.060
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: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -183.532800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.532800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.532800 (E_RNA)
where:
Base-Base interactions energy: -119.505
where: short stacking energy: -51.864
Base-Backbone interact. energy: -0.114
local terms energy: -63.913669
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -10.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -125.699676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.699676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.699676 (E_RNA)
where:
Base-Base interactions energy: -69.035
where: short stacking energy: -34.315
Base-Backbone interact. energy: -0.111
local terms energy: -56.553426
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -84.338251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.338251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.338251 (E_RNA)
where:
Base-Base interactions energy: -34.228
where: short stacking energy: -34.228
Base-Backbone interact. energy: 0.347
local terms energy: -50.457044
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -4.879
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: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -91.684567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.684567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.684567 (E_RNA)
where:
Base-Base interactions energy: -42.382
where: short stacking energy: -35.015
Base-Backbone interact. energy: -0.254
local terms energy: -49.048945
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -2.399
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: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -74.190612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.190612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.190612 (E_RNA)
where:
Base-Base interactions energy: -29.881
where: short stacking energy: -23.527
Base-Backbone interact. energy: -0.017
local terms energy: -44.292344
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -5.308
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -78.063956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.063956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.063956 (E_RNA)
where:
Base-Base interactions energy: -32.886
where: short stacking energy: -23.959
Base-Backbone interact. energy: 1.885
local terms energy: -47.062589
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -211.387912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.387912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.387912 (E_RNA)
where:
Base-Base interactions energy: -140.217
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.024
local terms energy: -71.147669
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -10.499
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: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -228.271840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.271840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.271840 (E_RNA)
where:
Base-Base interactions energy: -148.017
where: short stacking energy: -70.118
Base-Backbone interact. energy: -0.216
local terms energy: -80.038738
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -6.609
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: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -214.683392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.683392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.683392 (E_RNA)
where:
Base-Base interactions energy: -147.856
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.406
local terms energy: -66.421674
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -188.079516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.079516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.079516 (E_RNA)
where:
Base-Base interactions energy: -120.848
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.091
local terms energy: -67.140066
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -16.989
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: 280
Temperature: 1.100000
Total energy: -182.615878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.615878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.615878 (E_RNA)
where:
Base-Base interactions energy: -125.980
where: short stacking energy: -43.946
Base-Backbone interact. energy: 0.875
local terms energy: -57.510774
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -91.709717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.709717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.709717 (E_RNA)
where:
Base-Base interactions energy: -38.083
where: short stacking energy: -35.072
Base-Backbone interact. energy: 0.329
local terms energy: -53.955170
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -91.513658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.513658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.513658 (E_RNA)
where:
Base-Base interactions energy: -41.337
where: short stacking energy: -11.919
Base-Backbone interact. energy: 0.288
local terms energy: -50.464827
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: 5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -83.951166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.951166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.951166 (E_RNA)
where:
Base-Base interactions energy: -31.900
where: short stacking energy: -26.061
Base-Backbone interact. energy: -0.099
local terms energy: -51.951784
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -9.773
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: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -78.598837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.598837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.598837 (E_RNA)
where:
Base-Base interactions energy: -26.983
where: short stacking energy: -22.403
Base-Backbone interact. energy: -0.055
local terms energy: -51.561138
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: 0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -75.974770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.974770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.974770 (E_RNA)
where:
Base-Base interactions energy: -29.422
where: short stacking energy: -30.222
Base-Backbone interact. energy: -0.389
local terms energy: -46.164198
where:
bonds (distance) C4'-P energy: -8.522
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: 0.752
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: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -203.343465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.343465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.343465 (E_RNA)
where:
Base-Base interactions energy: -126.847
where: short stacking energy: -66.910
Base-Backbone interact. energy: 0.530
local terms energy: -77.026519
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -211.151297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.151297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.151297 (E_RNA)
where:
Base-Base interactions energy: -144.382
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.260
local terms energy: -66.508919
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -228.332173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.332173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.332173 (E_RNA)
where:
Base-Base interactions energy: -148.106
where: short stacking energy: -67.564
Base-Backbone interact. energy: -0.101
local terms energy: -80.125335
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -186.722464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.722464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.722464 (E_RNA)
where:
Base-Base interactions energy: -122.016
where: short stacking energy: -56.606
Base-Backbone interact. energy: -0.094
local terms energy: -64.612959
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -14.588
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: 281
Temperature: 1.100000
Total energy: -186.526134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.526134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.526134 (E_RNA)
where:
Base-Base interactions energy: -124.612
where: short stacking energy: -56.771
Base-Backbone interact. energy: -0.023
local terms energy: -61.891483
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -12.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -125.932328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.932328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.932328 (E_RNA)
where:
Base-Base interactions energy: -77.018
where: short stacking energy: -49.110
Base-Backbone interact. energy: -0.104
local terms energy: -48.810902
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -87.985560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.985560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.985560 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -30.130
Base-Backbone interact. energy: -0.090
local terms energy: -53.049438
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -95.081397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.081397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.081397 (E_RNA)
where:
Base-Base interactions energy: -39.595
where: short stacking energy: -39.595
Base-Backbone interact. energy: -0.003
local terms energy: -55.482918
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -84.022597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.022597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.022597 (E_RNA)
where:
Base-Base interactions energy: -40.681
where: short stacking energy: -11.690
Base-Backbone interact. energy: 0.153
local terms energy: -43.495458
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: 3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -77.406181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.406181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.406181 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -30.256
Base-Backbone interact. energy: -0.182
local terms energy: -46.968692
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -8.904
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -9.599
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: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -216.188845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.188845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.188845 (E_RNA)
where:
Base-Base interactions energy: -147.519
where: short stacking energy: -60.361
Base-Backbone interact. energy: -0.166
local terms energy: -68.503498
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -199.113141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.113141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.113141 (E_RNA)
where:
Base-Base interactions energy: -136.649
where: short stacking energy: -69.680
Base-Backbone interact. energy: 0.857
local terms energy: -63.321145
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -3.531
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: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -227.391635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.391635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.391635 (E_RNA)
where:
Base-Base interactions energy: -147.920
where: short stacking energy: -69.836
Base-Backbone interact. energy: -0.006
local terms energy: -79.465644
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -19.736
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: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -188.166338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.166338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.166338 (E_RNA)
where:
Base-Base interactions energy: -121.680
where: short stacking energy: -48.084
Base-Backbone interact. energy: -0.839
local terms energy: -65.647241
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -11.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -172.838552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.838552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.838552 (E_RNA)
where:
Base-Base interactions energy: -112.614
where: short stacking energy: -49.808
Base-Backbone interact. energy: -0.108
local terms energy: -60.115861
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -8.104
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: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -121.149642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.149642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.149642 (E_RNA)
where:
Base-Base interactions energy: -60.826
where: short stacking energy: -33.705
Base-Backbone interact. energy: 0.031
local terms energy: -60.354551
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -92.749695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.749695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.749695 (E_RNA)
where:
Base-Base interactions energy: -37.532
where: short stacking energy: -31.426
Base-Backbone interact. energy: -0.552
local terms energy: -54.665617
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -119.227202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.227202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.227202 (E_RNA)
where:
Base-Base interactions energy: -68.395
where: short stacking energy: -35.908
Base-Backbone interact. energy: -0.466
local terms energy: -50.366155
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -10.498
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: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -89.850997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.850997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.850997 (E_RNA)
where:
Base-Base interactions energy: -34.048
where: short stacking energy: -24.858
Base-Backbone interact. energy: -0.351
local terms energy: -55.452679
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -87.734942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.734942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.734942 (E_RNA)
where:
Base-Base interactions energy: -34.174
where: short stacking energy: -25.126
Base-Backbone interact. energy: 0.242
local terms energy: -53.803449
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -221.666140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.666140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.666140 (E_RNA)
where:
Base-Base interactions energy: -145.912
where: short stacking energy: -58.012
Base-Backbone interact. energy: -0.407
local terms energy: -75.347140
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -229.116644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.116644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.116644 (E_RNA)
where:
Base-Base interactions energy: -150.712
where: short stacking energy: -68.586
Base-Backbone interact. energy: -0.324
local terms energy: -78.081154
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -192.260293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.260293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.260293 (E_RNA)
where:
Base-Base interactions energy: -113.890
where: short stacking energy: -66.376
Base-Backbone interact. energy: -0.036
local terms energy: -78.333860
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -193.157101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.157101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.157101 (E_RNA)
where:
Base-Base interactions energy: -123.879
where: short stacking energy: -50.162
Base-Backbone interact. energy: -0.107
local terms energy: -69.170577
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -12.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -180.257038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.257038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.257038 (E_RNA)
where:
Base-Base interactions energy: -119.118
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.081
local terms energy: -61.058072
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -103.925233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.925233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.925233 (E_RNA)
where:
Base-Base interactions energy: -42.747
where: short stacking energy: -34.906
Base-Backbone interact. energy: -0.113
local terms energy: -61.064600
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -132.375034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.375034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.375034 (E_RNA)
where:
Base-Base interactions energy: -77.749
where: short stacking energy: -41.140
Base-Backbone interact. energy: -1.196
local terms energy: -53.430020
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -119.418898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.418898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.418898 (E_RNA)
where:
Base-Base interactions energy: -55.331
where: short stacking energy: -54.413
Base-Backbone interact. energy: -0.000
local terms energy: -64.087379
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -79.417949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.417949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.417949 (E_RNA)
where:
Base-Base interactions energy: -32.993
where: short stacking energy: -26.456
Base-Backbone interact. energy: 0.047
local terms energy: -46.472547
where:
bonds (distance) C4'-P energy: -6.343
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -96.455434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.455434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.455434 (E_RNA)
where:
Base-Base interactions energy: -40.938
where: short stacking energy: -20.003
Base-Backbone interact. energy: -0.149
local terms energy: -55.367574
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -7.561
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -5.583
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: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -233.652756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.652756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.652756 (E_RNA)
where:
Base-Base interactions energy: -157.025
where: short stacking energy: -74.884
Base-Backbone interact. energy: -0.280
local terms energy: -76.347970
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -220.006824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.006824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.006824 (E_RNA)
where:
Base-Base interactions energy: -143.663
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.253
local terms energy: -76.090132
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -206.420043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.420043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.420043 (E_RNA)
where:
Base-Base interactions energy: -135.149
where: short stacking energy: -62.746
Base-Backbone interact. energy: 0.093
local terms energy: -71.363914
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -18.598
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: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -185.546165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.546165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.546165 (E_RNA)
where:
Base-Base interactions energy: -121.043
where: short stacking energy: -59.944
Base-Backbone interact. energy: 0.347
local terms energy: -64.849890
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -177.871826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.871826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.871826 (E_RNA)
where:
Base-Base interactions energy: -117.535
where: short stacking energy: -51.898
Base-Backbone interact. energy: -0.329
local terms energy: -60.008237
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -88.850426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.850426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.850426 (E_RNA)
where:
Base-Base interactions energy: -33.575
where: short stacking energy: -31.358
Base-Backbone interact. energy: -0.093
local terms energy: -55.183084
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -8.182
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -7.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -109.483765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.483765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.483765 (E_RNA)
where:
Base-Base interactions energy: -52.815
where: short stacking energy: -28.629
Base-Backbone interact. energy: -0.104
local terms energy: -56.565199
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -7.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -78.356813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.356813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.356813 (E_RNA)
where:
Base-Base interactions energy: -22.410
where: short stacking energy: -22.410
Base-Backbone interact. energy: 0.244
local terms energy: -56.190612
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -9.489
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: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -89.352323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.352323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.352323 (E_RNA)
where:
Base-Base interactions energy: -36.745
where: short stacking energy: -22.049
Base-Backbone interact. energy: -0.130
local terms energy: -52.477240
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -85.336969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.336969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.336969 (E_RNA)
where:
Base-Base interactions energy: -38.596
where: short stacking energy: -30.687
Base-Backbone interact. energy: -0.186
local terms energy: -46.554867
where:
bonds (distance) C4'-P energy: -6.556
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -239.642582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.642582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.642582 (E_RNA)
where:
Base-Base interactions energy: -158.281
where: short stacking energy: -83.788
Base-Backbone interact. energy: -0.022
local terms energy: -81.339862
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -212.564120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.564120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.564120 (E_RNA)
where:
Base-Base interactions energy: -133.196
where: short stacking energy: -75.754
Base-Backbone interact. energy: -0.002
local terms energy: -79.366074
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -23.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -219.140591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.140591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.140591 (E_RNA)
where:
Base-Base interactions energy: -146.988
where: short stacking energy: -55.456
Base-Backbone interact. energy: -0.182
local terms energy: -71.970903
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -6.484
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: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -185.912761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.912761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.912761 (E_RNA)
where:
Base-Base interactions energy: -112.260
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.900
local terms energy: -72.752690
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -16.588
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: 285
Temperature: 1.100000
Total energy: -178.752793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.752793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.752793 (E_RNA)
where:
Base-Base interactions energy: -111.453
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.045
local terms energy: -67.254874
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -14.651
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: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -102.663772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.663772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.663772 (E_RNA)
where:
Base-Base interactions energy: -50.698
where: short stacking energy: -34.836
Base-Backbone interact. energy: -0.091
local terms energy: -51.874989
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -108.015322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.015322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.015322 (E_RNA)
where:
Base-Base interactions energy: -49.300
where: short stacking energy: -23.329
Base-Backbone interact. energy: -0.225
local terms energy: -58.491007
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -6.534
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: 285
Temperature: 1.250000
Total energy: -86.855375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.855375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.855375 (E_RNA)
where:
Base-Base interactions energy: -35.606
where: short stacking energy: -17.569
Base-Backbone interact. energy: -0.098
local terms energy: -51.151731
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -8.769
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -83.061418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.061418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.061418 (E_RNA)
where:
Base-Base interactions energy: -31.026
where: short stacking energy: -31.026
Base-Backbone interact. energy: -0.053
local terms energy: -51.982698
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -88.877944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.877944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.877944 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -29.964
Base-Backbone interact. energy: 0.581
local terms energy: -57.856621
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -231.514697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.514697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.514697 (E_RNA)
where:
Base-Base interactions energy: -153.336
where: short stacking energy: -77.512
Base-Backbone interact. energy: -0.250
local terms energy: -77.928223
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -23.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -206.716167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.716167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.716167 (E_RNA)
where:
Base-Base interactions energy: -129.862
where: short stacking energy: -66.301
Base-Backbone interact. energy: -0.035
local terms energy: -76.819166
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -214.349308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.349308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.349308 (E_RNA)
where:
Base-Base interactions energy: -143.589
where: short stacking energy: -58.847
Base-Backbone interact. energy: -0.504
local terms energy: -70.255960
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -17.688
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: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -193.395585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.395585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.395585 (E_RNA)
where:
Base-Base interactions energy: -122.330
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.014
local terms energy: -71.051697
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -7.441
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: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -184.821597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.821597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.821597 (E_RNA)
where:
Base-Base interactions energy: -128.434
where: short stacking energy: -55.648
Base-Backbone interact. energy: -0.014
local terms energy: -56.373923
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: 0.213
tors. eta vs tors. theta energy: -13.303
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: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -107.852351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.852351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.852351 (E_RNA)
where:
Base-Base interactions energy: -55.653
where: short stacking energy: -32.627
Base-Backbone interact. energy: -0.076
local terms energy: -52.123549
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -95.972612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.972612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.972612 (E_RNA)
where:
Base-Base interactions energy: -52.178
where: short stacking energy: -20.311
Base-Backbone interact. energy: -0.268
local terms energy: -43.527139
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -8.726
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: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -108.005120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.005120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.005120 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -23.764
Base-Backbone interact. energy: -0.589
local terms energy: -55.380469
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -6.570
flat angles P-C4'-P energy: -11.217
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: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -93.132149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.132149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.132149 (E_RNA)
where:
Base-Base interactions energy: -33.201
where: short stacking energy: -29.102
Base-Backbone interact. energy: 0.198
local terms energy: -60.129079
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -87.449606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.449606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.449606 (E_RNA)
where:
Base-Base interactions energy: -30.391
where: short stacking energy: -30.391
Base-Backbone interact. energy: 0.248
local terms energy: -57.306621
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -231.012204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.012204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.012204 (E_RNA)
where:
Base-Base interactions energy: -149.201
where: short stacking energy: -66.321
Base-Backbone interact. energy: -0.343
local terms energy: -81.468000
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -14.362
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: 287
Temperature: 0.950000
Total energy: -219.202305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.202305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.202305 (E_RNA)
where:
Base-Base interactions energy: -151.622
where: short stacking energy: -66.549
Base-Backbone interact. energy: -1.376
local terms energy: -66.205174
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -208.907637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.907637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.907637 (E_RNA)
where:
Base-Base interactions energy: -130.297
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.022
local terms energy: -78.588450
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -201.465006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.465006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.465006 (E_RNA)
where:
Base-Base interactions energy: -133.449
where: short stacking energy: -62.593
Base-Backbone interact. energy: -0.035
local terms energy: -67.980781
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -189.317394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.317394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.317394 (E_RNA)
where:
Base-Base interactions energy: -122.748
where: short stacking energy: -51.697
Base-Backbone interact. energy: -0.122
local terms energy: -66.446533
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -10.907
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: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -124.613919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.613919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.613919 (E_RNA)
where:
Base-Base interactions energy: -73.579
where: short stacking energy: -27.399
Base-Backbone interact. energy: -0.897
local terms energy: -50.137642
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -1.484
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: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -108.866085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.866085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.866085 (E_RNA)
where:
Base-Base interactions energy: -52.219
where: short stacking energy: -44.288
Base-Backbone interact. energy: 0.027
local terms energy: -56.674189
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -2.721
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -75.523014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.523014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.523014 (E_RNA)
where:
Base-Base interactions energy: -39.918
where: short stacking energy: -17.613
Base-Backbone interact. energy: -0.197
local terms energy: -35.408546
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: 1.467
tors. eta vs tors. theta energy: 5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -79.687341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.687341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.687341 (E_RNA)
where:
Base-Base interactions energy: -29.030
where: short stacking energy: -29.330
Base-Backbone interact. energy: 0.061
local terms energy: -50.718083
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -11.269
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: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -89.104165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.104165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.104165 (E_RNA)
where:
Base-Base interactions energy: -44.553
where: short stacking energy: -17.410
Base-Backbone interact. energy: 0.265
local terms energy: -44.816852
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -8.824
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: 2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -226.524991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.524991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.524991 (E_RNA)
where:
Base-Base interactions energy: -150.662
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.449
local terms energy: -75.413584
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -233.000984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.000984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.000984 (E_RNA)
where:
Base-Base interactions energy: -156.823
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.001
local terms energy: -76.177085
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -22.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -211.523886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.523886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.523886 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -56.280
Base-Backbone interact. energy: -1.113
local terms energy: -69.424866
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -197.895925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.895925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.895925 (E_RNA)
where:
Base-Base interactions energy: -122.039
where: short stacking energy: -66.345
Base-Backbone interact. energy: -0.006
local terms energy: -75.850414
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -202.496945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.496945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.496945 (E_RNA)
where:
Base-Base interactions energy: -134.895
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.084
local terms energy: -67.517958
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -11.162
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: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -126.925150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.925150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.925150 (E_RNA)
where:
Base-Base interactions energy: -77.697
where: short stacking energy: -43.745
Base-Backbone interact. energy: -0.018
local terms energy: -49.210458
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -6.054
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -100.981294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.981294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.981294 (E_RNA)
where:
Base-Base interactions energy: -47.060
where: short stacking energy: -43.240
Base-Backbone interact. energy: -0.351
local terms energy: -53.569973
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -83.882293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.882293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.882293 (E_RNA)
where:
Base-Base interactions energy: -37.399
where: short stacking energy: -32.614
Base-Backbone interact. energy: 0.092
local terms energy: -46.574965
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -85.628041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.628041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.628041 (E_RNA)
where:
Base-Base interactions energy: -40.252
where: short stacking energy: -33.663
Base-Backbone interact. energy: -0.214
local terms energy: -45.162064
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -6.736
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -74.543973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.543973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.543973 (E_RNA)
where:
Base-Base interactions energy: -25.154
where: short stacking energy: -19.015
Base-Backbone interact. energy: -0.267
local terms energy: -49.123801
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: 2.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -225.675462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.675462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.675462 (E_RNA)
where:
Base-Base interactions energy: -151.385
where: short stacking energy: -62.029
Base-Backbone interact. energy: -0.406
local terms energy: -73.885255
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -10.933
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: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -224.590981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.590981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.590981 (E_RNA)
where:
Base-Base interactions energy: -152.599
where: short stacking energy: -65.212
Base-Backbone interact. energy: -0.299
local terms energy: -71.693049
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -16.462
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: 289
Temperature: 1.000000
Total energy: -226.996581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.996581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.996581 (E_RNA)
where:
Base-Base interactions energy: -154.500
where: short stacking energy: -74.386
Base-Backbone interact. energy: -0.005
local terms energy: -72.491634
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -191.092755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.092755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.092755 (E_RNA)
where:
Base-Base interactions energy: -116.411
where: short stacking energy: -59.475
Base-Backbone interact. energy: 1.018
local terms energy: -75.699956
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -197.024437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.024437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.024437 (E_RNA)
where:
Base-Base interactions energy: -125.244
where: short stacking energy: -52.876
Base-Backbone interact. energy: -0.178
local terms energy: -71.603133
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -105.258836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.258836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.258836 (E_RNA)
where:
Base-Base interactions energy: -44.419
where: short stacking energy: -38.606
Base-Backbone interact. energy: -0.138
local terms energy: -60.702407
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -104.270464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.270464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.270464 (E_RNA)
where:
Base-Base interactions energy: -58.017
where: short stacking energy: -45.299
Base-Backbone interact. energy: -0.278
local terms energy: -45.976271
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -80.415991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.415991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.415991 (E_RNA)
where:
Base-Base interactions energy: -25.492
where: short stacking energy: -23.444
Base-Backbone interact. energy: -0.510
local terms energy: -54.413203
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -98.535543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.535543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.535543 (E_RNA)
where:
Base-Base interactions energy: -50.703
where: short stacking energy: -30.299
Base-Backbone interact. energy: -0.217
local terms energy: -47.615691
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -2.983
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: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -89.307617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.307617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.307617 (E_RNA)
where:
Base-Base interactions energy: -42.996
where: short stacking energy: -19.047
Base-Backbone interact. energy: -0.126
local terms energy: -46.184878
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: 1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -235.448947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.448947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.448947 (E_RNA)
where:
Base-Base interactions energy: -166.226
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.391
local terms energy: -68.832184
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -222.106537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.106537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.106537 (E_RNA)
where:
Base-Base interactions energy: -154.736
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.118
local terms energy: -67.252292
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -231.057773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.057773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.057773 (E_RNA)
where:
Base-Base interactions energy: -154.072
where: short stacking energy: -76.450
Base-Backbone interact. energy: -0.006
local terms energy: -76.980581
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -193.781230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.781230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.781230 (E_RNA)
where:
Base-Base interactions energy: -129.596
where: short stacking energy: -49.263
Base-Backbone interact. energy: -0.699
local terms energy: -63.487101
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -182.743488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.743488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.743488 (E_RNA)
where:
Base-Base interactions energy: -114.149
where: short stacking energy: -54.069
Base-Backbone interact. energy: 0.403
local terms energy: -68.997713
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -106.090603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.090603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.090603 (E_RNA)
where:
Base-Base interactions energy: -55.199
where: short stacking energy: -32.216
Base-Backbone interact. energy: -0.272
local terms energy: -50.619825
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -94.532717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.532717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.532717 (E_RNA)
where:
Base-Base interactions energy: -47.557
where: short stacking energy: -37.926
Base-Backbone interact. energy: -0.086
local terms energy: -46.889928
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -96.114722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.114722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.114722 (E_RNA)
where:
Base-Base interactions energy: -45.736
where: short stacking energy: -25.848
Base-Backbone interact. energy: -0.087
local terms energy: -50.292168
where:
bonds (distance) C4'-P energy: -8.082
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -7.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -127.464300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.464300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.464300 (E_RNA)
where:
Base-Base interactions energy: -70.524
where: short stacking energy: -35.375
Base-Backbone interact. energy: -0.056
local terms energy: -56.884266
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -9.136
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: 290
Temperature: 1.350000
Total energy: -81.129908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.129908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.129908 (E_RNA)
where:
Base-Base interactions energy: -44.129
where: short stacking energy: -24.719
Base-Backbone interact. energy: -0.020
local terms energy: -36.980645
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -1.286
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -232.361348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.361348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.361348 (E_RNA)
where:
Base-Base interactions energy: -156.555
where: short stacking energy: -66.355
Base-Backbone interact. energy: 0.274
local terms energy: -76.080353
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -16.705
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: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -228.844408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.844408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.844408 (E_RNA)
where:
Base-Base interactions energy: -157.053
where: short stacking energy: -74.300
Base-Backbone interact. energy: -0.587
local terms energy: -71.203868
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -213.833271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.833271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.833271 (E_RNA)
where:
Base-Base interactions energy: -145.381
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.235
local terms energy: -68.217353
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -187.425022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.425022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.425022 (E_RNA)
where:
Base-Base interactions energy: -129.599
where: short stacking energy: -54.991
Base-Backbone interact. energy: -0.435
local terms energy: -57.391183
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -198.296287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.296287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.296287 (E_RNA)
where:
Base-Base interactions energy: -126.556
where: short stacking energy: -50.726
Base-Backbone interact. energy: 0.109
local terms energy: -71.849117
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -122.219131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.219131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.219131 (E_RNA)
where:
Base-Base interactions energy: -74.658
where: short stacking energy: -28.616
Base-Backbone interact. energy: 0.682
local terms energy: -48.243858
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: 1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -92.765522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.765522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.765522 (E_RNA)
where:
Base-Base interactions energy: -33.068
where: short stacking energy: -24.710
Base-Backbone interact. energy: -0.011
local terms energy: -59.686489
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -13.194
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: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -110.073756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.073756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.073756 (E_RNA)
where:
Base-Base interactions energy: -56.556
where: short stacking energy: -23.738
Base-Backbone interact. energy: 0.169
local terms energy: -53.686517
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -3.890
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: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -92.894337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.894337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.894337 (E_RNA)
where:
Base-Base interactions energy: -36.964
where: short stacking energy: -36.239
Base-Backbone interact. energy: -0.048
local terms energy: -55.881975
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -77.396862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.396862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.396862 (E_RNA)
where:
Base-Base interactions energy: -18.663
where: short stacking energy: -17.945
Base-Backbone interact. energy: -0.248
local terms energy: -58.485895
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: 0.503
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: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -226.434930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.434930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.434930 (E_RNA)
where:
Base-Base interactions energy: -164.036
where: short stacking energy: -64.470
Base-Backbone interact. energy: -0.277
local terms energy: -62.122205
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -3.838
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: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -225.786513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.786513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.786513 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -76.747
Base-Backbone interact. energy: 1.649
local terms energy: -80.823527
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -201.197952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.197952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.197952 (E_RNA)
where:
Base-Base interactions energy: -128.347
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.272
local terms energy: -72.578592
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -19.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -193.089585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.089585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.089585 (E_RNA)
where:
Base-Base interactions energy: -126.637
where: short stacking energy: -61.247
Base-Backbone interact. energy: 0.200
local terms energy: -66.652448
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -15.245
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: 292
Temperature: 1.100000
Total energy: -185.858595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.858595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.858595 (E_RNA)
where:
Base-Base interactions energy: -124.570
where: short stacking energy: -60.055
Base-Backbone interact. energy: -0.010
local terms energy: -61.278429
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -108.522861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.522861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.522861 (E_RNA)
where:
Base-Base interactions energy: -52.392
where: short stacking energy: -46.302
Base-Backbone interact. energy: -0.103
local terms energy: -56.027473
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -97.420062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.420062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.420062 (E_RNA)
where:
Base-Base interactions energy: -51.848
where: short stacking energy: -35.739
Base-Backbone interact. energy: -0.297
local terms energy: -45.274992
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -8.050
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -102.468327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.468327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.468327 (E_RNA)
where:
Base-Base interactions energy: -51.398
where: short stacking energy: -39.670
Base-Backbone interact. energy: -0.445
local terms energy: -50.625122
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -83.509405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.509405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.509405 (E_RNA)
where:
Base-Base interactions energy: -37.403
where: short stacking energy: -35.184
Base-Backbone interact. energy: -0.128
local terms energy: -45.978370
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -4.680
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: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -71.513382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.513382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.513382 (E_RNA)
where:
Base-Base interactions energy: -30.441
where: short stacking energy: -27.371
Base-Backbone interact. energy: -0.189
local terms energy: -40.883063
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: 0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -229.406001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.406001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.406001 (E_RNA)
where:
Base-Base interactions energy: -155.539
where: short stacking energy: -70.674
Base-Backbone interact. energy: -0.289
local terms energy: -73.578088
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -229.430682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.430682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.430682 (E_RNA)
where:
Base-Base interactions energy: -155.239
where: short stacking energy: -77.430
Base-Backbone interact. energy: -0.590
local terms energy: -73.601576
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -194.156153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.156153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.156153 (E_RNA)
where:
Base-Base interactions energy: -129.338
where: short stacking energy: -55.714
Base-Backbone interact. energy: -0.057
local terms energy: -64.760396
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -13.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -193.656978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.656978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.656978 (E_RNA)
where:
Base-Base interactions energy: -129.056
where: short stacking energy: -54.517
Base-Backbone interact. energy: -0.188
local terms energy: -64.413285
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -186.643585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.643585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.643585 (E_RNA)
where:
Base-Base interactions energy: -122.222
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.381
local terms energy: -64.040895
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -116.265657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.265657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.265657 (E_RNA)
where:
Base-Base interactions energy: -57.595
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.105
local terms energy: -58.565007
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -7.958
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -87.255985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.255985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.255985 (E_RNA)
where:
Base-Base interactions energy: -38.169
where: short stacking energy: -24.253
Base-Backbone interact. energy: -0.468
local terms energy: -48.619207
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -106.296743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.296743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.296743 (E_RNA)
where:
Base-Base interactions energy: -51.269
where: short stacking energy: -34.931
Base-Backbone interact. energy: -0.012
local terms energy: -55.015473
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -7.226
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: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -87.268917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.268917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.268917 (E_RNA)
where:
Base-Base interactions energy: -39.031
where: short stacking energy: -36.188
Base-Backbone interact. energy: -0.115
local terms energy: -48.122874
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -4.454
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: 293
Temperature: 1.350000
Total energy: -76.012407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.012407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.012407 (E_RNA)
where:
Base-Base interactions energy: -28.472
where: short stacking energy: -28.472
Base-Backbone interact. energy: -0.189
local terms energy: -47.351890
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: 0.199
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -221.202724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.202724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.202724 (E_RNA)
where:
Base-Base interactions energy: -147.250
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.578
local terms energy: -73.375140
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -227.169374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.169374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.169374 (E_RNA)
where:
Base-Base interactions energy: -152.057
where: short stacking energy: -71.848
Base-Backbone interact. energy: -0.596
local terms energy: -74.516244
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -193.882947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.882947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.882947 (E_RNA)
where:
Base-Base interactions energy: -126.369
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.078
local terms energy: -67.436104
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -194.485755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.485755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.485755 (E_RNA)
where:
Base-Base interactions energy: -129.091
where: short stacking energy: -60.347
Base-Backbone interact. energy: -0.043
local terms energy: -65.352160
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -186.688841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.688841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.688841 (E_RNA)
where:
Base-Base interactions energy: -119.294
where: short stacking energy: -58.293
Base-Backbone interact. energy: -0.671
local terms energy: -66.724460
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -98.445855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.445855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.445855 (E_RNA)
where:
Base-Base interactions energy: -45.021
where: short stacking energy: -44.933
Base-Backbone interact. energy: 2.872
local terms energy: -56.296256
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -85.712528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.712528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.712528 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -21.316
Base-Backbone interact. energy: -1.016
local terms energy: -53.561666
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -0.160
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: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -123.323080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.323080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.323080 (E_RNA)
where:
Base-Base interactions energy: -67.151
where: short stacking energy: -32.858
Base-Backbone interact. energy: -0.213
local terms energy: -55.959067
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -1.696
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -81.121548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.121548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.121548 (E_RNA)
where:
Base-Base interactions energy: -35.581
where: short stacking energy: -35.581
Base-Backbone interact. energy: -0.188
local terms energy: -45.352422
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -8.682
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -4.783
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: 294
Temperature: 1.350000
Total energy: -76.971888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.971888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.971888 (E_RNA)
where:
Base-Base interactions energy: -20.477
where: short stacking energy: -20.147
Base-Backbone interact. energy: -0.880
local terms energy: -55.615118
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -216.253157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.253157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.253157 (E_RNA)
where:
Base-Base interactions energy: -147.704
where: short stacking energy: -61.401
Base-Backbone interact. energy: 2.102
local terms energy: -70.651549
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -226.873544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.873544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.873544 (E_RNA)
where:
Base-Base interactions energy: -150.262
where: short stacking energy: -73.580
Base-Backbone interact. energy: -0.000
local terms energy: -76.611390
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -22.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -190.735598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.735598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.735598 (E_RNA)
where:
Base-Base interactions energy: -113.317
where: short stacking energy: -56.836
Base-Backbone interact. energy: -0.042
local terms energy: -77.376744
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -18.863
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: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -198.963118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.963118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.963118 (E_RNA)
where:
Base-Base interactions energy: -130.937
where: short stacking energy: -69.321
Base-Backbone interact. energy: -0.179
local terms energy: -67.846697
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -187.519995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.519995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.519995 (E_RNA)
where:
Base-Base interactions energy: -123.398
where: short stacking energy: -60.807
Base-Backbone interact. energy: -0.147
local terms energy: -63.974329
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -13.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -99.717732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.717732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.717732 (E_RNA)
where:
Base-Base interactions energy: -38.413
where: short stacking energy: -35.362
Base-Backbone interact. energy: 0.955
local terms energy: -62.259179
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -104.081883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.081883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.081883 (E_RNA)
where:
Base-Base interactions energy: -46.134
where: short stacking energy: -35.661
Base-Backbone interact. energy: -0.045
local terms energy: -57.902123
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -7.431
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: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -84.758367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.758367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.758367 (E_RNA)
where:
Base-Base interactions energy: -38.041
where: short stacking energy: -28.530
Base-Backbone interact. energy: -0.220
local terms energy: -46.497539
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: 0.347
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: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -95.468774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.468774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.468774 (E_RNA)
where:
Base-Base interactions energy: -47.828
where: short stacking energy: -32.028
Base-Backbone interact. energy: 3.015
local terms energy: -50.655699
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -101.124564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.124564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.124564 (E_RNA)
where:
Base-Base interactions energy: -72.030
where: short stacking energy: -29.255
Base-Backbone interact. energy: 1.196
local terms energy: -30.290145
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -8.824
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -3.935
tors. eta vs tors. theta energy: 4.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -224.623943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.623943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.623943 (E_RNA)
where:
Base-Base interactions energy: -151.108
where: short stacking energy: -60.049
Base-Backbone interact. energy: -0.408
local terms energy: -73.107945
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -223.867180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.867180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.867180 (E_RNA)
where:
Base-Base interactions energy: -145.141
where: short stacking energy: -73.052
Base-Backbone interact. energy: -0.631
local terms energy: -78.095396
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -208.118099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.118099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.118099 (E_RNA)
where:
Base-Base interactions energy: -134.092
where: short stacking energy: -69.198
Base-Backbone interact. energy: 0.138
local terms energy: -74.164201
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -197.542446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.542446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.542446 (E_RNA)
where:
Base-Base interactions energy: -126.190
where: short stacking energy: -67.618
Base-Backbone interact. energy: -0.507
local terms energy: -70.845977
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -192.190660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.190660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.190660 (E_RNA)
where:
Base-Base interactions energy: -124.269
where: short stacking energy: -58.284
Base-Backbone interact. energy: 0.277
local terms energy: -68.198551
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -99.739644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.739644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.739644 (E_RNA)
where:
Base-Base interactions energy: -38.821
where: short stacking energy: -38.821
Base-Backbone interact. energy: -0.203
local terms energy: -60.715002
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -8.965
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: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -82.582269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582269 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -34.592
Base-Backbone interact. energy: -0.220
local terms energy: -47.770541
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -4.519
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -89.796601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.796601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.796601 (E_RNA)
where:
Base-Base interactions energy: -38.692
where: short stacking energy: -23.629
Base-Backbone interact. energy: -0.310
local terms energy: -50.794853
where:
bonds (distance) C4'-P energy: -8.340
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -105.545768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.545768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.545768 (E_RNA)
where:
Base-Base interactions energy: -58.690
where: short stacking energy: -31.230
Base-Backbone interact. energy: 0.270
local terms energy: -47.126035
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -8.078
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -88.844416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.844416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.844416 (E_RNA)
where:
Base-Base interactions energy: -44.880
where: short stacking energy: -35.004
Base-Backbone interact. energy: -0.252
local terms energy: -43.711460
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -5.700
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -232.188220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.188220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.188220 (E_RNA)
where:
Base-Base interactions energy: -155.828
where: short stacking energy: -72.404
Base-Backbone interact. energy: -0.520
local terms energy: -75.839678
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -201.047804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.047804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.047804 (E_RNA)
where:
Base-Base interactions energy: -133.677
where: short stacking energy: -54.104
Base-Backbone interact. energy: 1.941
local terms energy: -69.312448
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -217.970272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.970272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.970272 (E_RNA)
where:
Base-Base interactions energy: -144.073
where: short stacking energy: -65.119
Base-Backbone interact. energy: -1.628
local terms energy: -72.269312
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -9.948
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: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -186.958709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.958709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.958709 (E_RNA)
where:
Base-Base interactions energy: -123.104
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.010
local terms energy: -63.845288
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -190.517466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.517466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.517466 (E_RNA)
where:
Base-Base interactions energy: -131.817
where: short stacking energy: -51.614
Base-Backbone interact. energy: 1.027
local terms energy: -59.727130
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -156.065775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.065775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.065775 (E_RNA)
where:
Base-Base interactions energy: -96.912
where: short stacking energy: -34.892
Base-Backbone interact. energy: 1.093
local terms energy: -60.246673
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -95.872904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.872904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.872904 (E_RNA)
where:
Base-Base interactions energy: -46.111
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.062
local terms energy: -49.700273
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -122.801154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.801154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.801154 (E_RNA)
where:
Base-Base interactions energy: -67.706
where: short stacking energy: -30.428
Base-Backbone interact. energy: -0.107
local terms energy: -54.988051
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -92.982629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.982629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.982629 (E_RNA)
where:
Base-Base interactions energy: -39.371
where: short stacking energy: -27.768
Base-Backbone interact. energy: -0.159
local terms energy: -53.453120
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -4.574
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: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -76.521475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.521475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.521475 (E_RNA)
where:
Base-Base interactions energy: -24.902
where: short stacking energy: -24.010
Base-Backbone interact. energy: -0.083
local terms energy: -51.536328
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -220.523165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.523165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.523165 (E_RNA)
where:
Base-Base interactions energy: -146.773
where: short stacking energy: -66.645
Base-Backbone interact. energy: 0.517
local terms energy: -74.266892
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -213.021206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.021206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.021206 (E_RNA)
where:
Base-Base interactions energy: -142.662
where: short stacking energy: -58.692
Base-Backbone interact. energy: -0.088
local terms energy: -70.271470
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -203.059936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.059936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.059936 (E_RNA)
where:
Base-Base interactions energy: -135.588
where: short stacking energy: -59.015
Base-Backbone interact. energy: -0.174
local terms energy: -67.297880
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -182.313398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.313398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.313398 (E_RNA)
where:
Base-Base interactions energy: -123.558
where: short stacking energy: -52.582
Base-Backbone interact. energy: -0.199
local terms energy: -58.556802
where:
bonds (distance) C4'-P energy: -6.137
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -183.548419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.548419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.548419 (E_RNA)
where:
Base-Base interactions energy: -118.896
where: short stacking energy: -60.639
Base-Backbone interact. energy: -0.094
local terms energy: -64.558035
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -181.210202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.210202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.210202 (E_RNA)
where:
Base-Base interactions energy: -126.415
where: short stacking energy: -50.196
Base-Backbone interact. energy: -1.236
local terms energy: -53.558379
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -8.213
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -9.455
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: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -143.374056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.374056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.374056 (E_RNA)
where:
Base-Base interactions energy: -83.487
where: short stacking energy: -42.576
Base-Backbone interact. energy: -0.311
local terms energy: -59.575971
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -10.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -87.519477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.519477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.519477 (E_RNA)
where:
Base-Base interactions energy: -41.079
where: short stacking energy: -38.775
Base-Backbone interact. energy: -0.146
local terms energy: -46.294814
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -8.572
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -8.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -78.280014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.280014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.280014 (E_RNA)
where:
Base-Base interactions energy: -30.996
where: short stacking energy: -28.654
Base-Backbone interact. energy: -0.153
local terms energy: -47.131565
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -82.259550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.259550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.259550 (E_RNA)
where:
Base-Base interactions energy: -46.999
where: short stacking energy: -25.059
Base-Backbone interact. energy: -0.286
local terms energy: -34.974454
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -9.233
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: 3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -223.870373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.870373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.870373 (E_RNA)
where:
Base-Base interactions energy: -151.190
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.413
local terms energy: -72.268022
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -211.405271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.405271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.405271 (E_RNA)
where:
Base-Base interactions energy: -140.445
where: short stacking energy: -76.377
Base-Backbone interact. energy: -0.053
local terms energy: -70.907142
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -22.311
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: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -203.528658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.528658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.528658 (E_RNA)
where:
Base-Base interactions energy: -134.490
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.042
local terms energy: -68.996707
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -9.145
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: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -185.446153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.446153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.446153 (E_RNA)
where:
Base-Base interactions energy: -124.620
where: short stacking energy: -52.052
Base-Backbone interact. energy: -0.932
local terms energy: -59.894387
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -179.922303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.922303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.922303 (E_RNA)
where:
Base-Base interactions energy: -111.844
where: short stacking energy: -55.722
Base-Backbone interact. energy: -0.605
local terms energy: -67.472886
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -150.984579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.984579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.984579 (E_RNA)
where:
Base-Base interactions energy: -93.257
where: short stacking energy: -42.767
Base-Backbone interact. energy: -0.318
local terms energy: -57.408936
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -7.051
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: 299
Temperature: 1.200000
Total energy: -184.924472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.924472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.924472 (E_RNA)
where:
Base-Base interactions energy: -119.516
where: short stacking energy: -53.151
Base-Backbone interact. energy: -0.005
local terms energy: -65.403392
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -94.978655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.978655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.978655 (E_RNA)
where:
Base-Base interactions energy: -38.626
where: short stacking energy: -34.363
Base-Backbone interact. energy: 0.011
local terms energy: -56.363534
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -77.932563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.932563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.932563 (E_RNA)
where:
Base-Base interactions energy: -29.726
where: short stacking energy: -29.726
Base-Backbone interact. energy: -0.019
local terms energy: -48.187831
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -1.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -85.022875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.022875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.022875 (E_RNA)
where:
Base-Base interactions energy: -36.070
where: short stacking energy: -34.434
Base-Backbone interact. energy: -0.016
local terms energy: -48.936533
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -221.702978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.702978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.702978 (E_RNA)
where:
Base-Base interactions energy: -140.565
where: short stacking energy: -80.155
Base-Backbone interact. energy: 0.022
local terms energy: -81.159918
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -219.980850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.980850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.980850 (E_RNA)
where:
Base-Base interactions energy: -154.864
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.329
local terms energy: -64.787474
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -207.023253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.023253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.023253 (E_RNA)
where:
Base-Base interactions energy: -137.753
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.154
local terms energy: -69.116271
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -191.454726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.454726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.454726 (E_RNA)
where:
Base-Base interactions energy: -125.379
where: short stacking energy: -71.137
Base-Backbone interact. energy: -0.013
local terms energy: -66.063113
where:
bonds (distance) C4'-P energy: -2.622
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -10.993
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: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -196.981659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.981659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.981659 (E_RNA)
where:
Base-Base interactions energy: -129.825
where: short stacking energy: -56.574
Base-Backbone interact. energy: -0.393
local terms energy: -66.762953
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -138.467948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.467948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.467948 (E_RNA)
where:
Base-Base interactions energy: -78.451
where: short stacking energy: -40.176
Base-Backbone interact. energy: -0.993
local terms energy: -59.023502
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -3.875
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: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -186.861062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.861062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.861062 (E_RNA)
where:
Base-Base interactions energy: -118.375
where: short stacking energy: -60.949
Base-Backbone interact. energy: -0.001
local terms energy: -68.485313
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -84.342663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.342663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.342663 (E_RNA)
where:
Base-Base interactions energy: -31.450
where: short stacking energy: -29.480
Base-Backbone interact. energy: 0.497
local terms energy: -53.390215
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -85.281776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.281776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.281776 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -23.024
Base-Backbone interact. energy: -0.006
local terms energy: -54.883101
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.118
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: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -80.851130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.851130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.851130 (E_RNA)
where:
Base-Base interactions energy: -27.598
where: short stacking energy: -27.598
Base-Backbone interact. energy: 0.182
local terms energy: -53.434980
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -230.130101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.130101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.130101 (E_RNA)
where:
Base-Base interactions energy: -156.065
where: short stacking energy: -76.958
Base-Backbone interact. energy: -0.689
local terms energy: -73.376466
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -22.395
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: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -216.123072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.123072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.123072 (E_RNA)
where:
Base-Base interactions energy: -153.073
where: short stacking energy: -64.336
Base-Backbone interact. energy: 1.842
local terms energy: -64.891940
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -191.775151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.775151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.775151 (E_RNA)
where:
Base-Base interactions energy: -123.281
where: short stacking energy: -59.189
Base-Backbone interact. energy: -0.110
local terms energy: -68.383361
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -187.349538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.349538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.349538 (E_RNA)
where:
Base-Base interactions energy: -125.888
where: short stacking energy: -48.851
Base-Backbone interact. energy: -0.130
local terms energy: -61.331416
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -202.961401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.961401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.961401 (E_RNA)
where:
Base-Base interactions energy: -137.163
where: short stacking energy: -53.822
Base-Backbone interact. energy: -0.300
local terms energy: -65.498715
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -9.943
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: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -188.207171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.207171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.207171 (E_RNA)
where:
Base-Base interactions energy: -124.331
where: short stacking energy: -66.575
Base-Backbone interact. energy: -0.047
local terms energy: -63.829135
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -138.018919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.018919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.018919 (E_RNA)
where:
Base-Base interactions energy: -74.972
where: short stacking energy: -39.067
Base-Backbone interact. energy: -0.189
local terms energy: -62.857831
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -101.226744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.226744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.226744 (E_RNA)
where:
Base-Base interactions energy: -41.129
where: short stacking energy: -41.229
Base-Backbone interact. energy: -0.063
local terms energy: -60.034887
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -103.565743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.565743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.565743 (E_RNA)
where:
Base-Base interactions energy: -54.764
where: short stacking energy: -32.464
Base-Backbone interact. energy: -0.226
local terms energy: -48.575762
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -8.662
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -100.667833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.667833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.667833 (E_RNA)
where:
Base-Base interactions energy: -57.711
where: short stacking energy: -31.693
Base-Backbone interact. energy: -0.175
local terms energy: -42.781010
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -7.712
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -4.376
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: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -226.265896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.265896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.265896 (E_RNA)
where:
Base-Base interactions energy: -150.125
where: short stacking energy: -55.650
Base-Backbone interact. energy: -0.440
local terms energy: -75.700130
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -227.457379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.457379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.457379 (E_RNA)
where:
Base-Base interactions energy: -146.831
where: short stacking energy: -67.984
Base-Backbone interact. energy: -0.085
local terms energy: -80.542275
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -192.362471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.362471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.362471 (E_RNA)
where:
Base-Base interactions energy: -119.530
where: short stacking energy: -61.811
Base-Backbone interact. energy: -0.506
local terms energy: -72.326371
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -16.207
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: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -186.125152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.125152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.125152 (E_RNA)
where:
Base-Base interactions energy: -120.087
where: short stacking energy: -50.472
Base-Backbone interact. energy: 0.005
local terms energy: -66.042789
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -11.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -210.645944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.645944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.645944 (E_RNA)
where:
Base-Base interactions energy: -143.214
where: short stacking energy: -64.781
Base-Backbone interact. energy: -0.014
local terms energy: -67.417608
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -189.630635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.630635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.630635 (E_RNA)
where:
Base-Base interactions energy: -128.133
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.379
local terms energy: -61.118299
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -126.800827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.800827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.800827 (E_RNA)
where:
Base-Base interactions energy: -72.922
where: short stacking energy: -47.727
Base-Backbone interact. energy: -0.168
local terms energy: -53.710294
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -85.488670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.488670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.488670 (E_RNA)
where:
Base-Base interactions energy: -37.433
where: short stacking energy: -36.948
Base-Backbone interact. energy: 0.961
local terms energy: -49.016288
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -0.501
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: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -101.768578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.768578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.768578 (E_RNA)
where:
Base-Base interactions energy: -61.243
where: short stacking energy: -33.826
Base-Backbone interact. energy: 2.210
local terms energy: -42.736123
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -80.182216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.182216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.182216 (E_RNA)
where:
Base-Base interactions energy: -23.933
where: short stacking energy: -23.933
Base-Backbone interact. energy: -0.045
local terms energy: -56.204394
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -12.385
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: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -230.370145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.370145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.370145 (E_RNA)
where:
Base-Base interactions energy: -149.274
where: short stacking energy: -68.180
Base-Backbone interact. energy: -0.748
local terms energy: -80.348251
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -224.964123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.964123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.964123 (E_RNA)
where:
Base-Base interactions energy: -153.467
where: short stacking energy: -74.260
Base-Backbone interact. energy: -0.340
local terms energy: -71.157994
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -199.479663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.479663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.479663 (E_RNA)
where:
Base-Base interactions energy: -128.705
where: short stacking energy: -69.976
Base-Backbone interact. energy: -0.021
local terms energy: -70.754046
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -220.930807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.930807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.930807 (E_RNA)
where:
Base-Base interactions energy: -148.316
where: short stacking energy: -77.817
Base-Backbone interact. energy: -0.014
local terms energy: -72.601630
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -18.233
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: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -178.309643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.309643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.309643 (E_RNA)
where:
Base-Base interactions energy: -115.375
where: short stacking energy: -56.965
Base-Backbone interact. energy: -0.004
local terms energy: -62.930419
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -210.748579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.748579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.748579 (E_RNA)
where:
Base-Base interactions energy: -145.614
where: short stacking energy: -57.013
Base-Backbone interact. energy: 0.487
local terms energy: -65.621137
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -161.269770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.269770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.269770 (E_RNA)
where:
Base-Base interactions energy: -105.636
where: short stacking energy: -48.889
Base-Backbone interact. energy: -0.110
local terms energy: -55.524030
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -11.366
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: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -99.528561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.528561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.528561 (E_RNA)
where:
Base-Base interactions energy: -58.096
where: short stacking energy: -33.577
Base-Backbone interact. energy: 1.046
local terms energy: -42.479490
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -3.807
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: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -90.895823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.895823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.895823 (E_RNA)
where:
Base-Base interactions energy: -35.488
where: short stacking energy: -28.442
Base-Backbone interact. energy: -0.123
local terms energy: -55.284547
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -114.372461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.372461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.372461 (E_RNA)
where:
Base-Base interactions energy: -67.082
where: short stacking energy: -34.341
Base-Backbone interact. energy: -0.284
local terms energy: -47.006714
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -225.788904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.788904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.788904 (E_RNA)
where:
Base-Base interactions energy: -152.243
where: short stacking energy: -58.740
Base-Backbone interact. energy: -0.645
local terms energy: -72.901881
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -225.805881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.805881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.805881 (E_RNA)
where:
Base-Base interactions energy: -144.581
where: short stacking energy: -73.406
Base-Backbone interact. energy: -0.000
local terms energy: -81.224658
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -19.893
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: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -223.612324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.612324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.612324 (E_RNA)
where:
Base-Base interactions energy: -148.951
where: short stacking energy: -72.924
Base-Backbone interact. energy: -0.247
local terms energy: -74.414077
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -205.955199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.955199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.955199 (E_RNA)
where:
Base-Base interactions energy: -139.496
where: short stacking energy: -59.717
Base-Backbone interact. energy: -0.235
local terms energy: -66.224318
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -199.742858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.742858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.742858 (E_RNA)
where:
Base-Base interactions energy: -134.326
where: short stacking energy: -49.579
Base-Backbone interact. energy: -0.986
local terms energy: -64.430661
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -10.312
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: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -182.419250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.419250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.419250 (E_RNA)
where:
Base-Base interactions energy: -119.521
where: short stacking energy: -54.151
Base-Backbone interact. energy: -0.039
local terms energy: -62.858425
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -156.761178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.761178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.761178 (E_RNA)
where:
Base-Base interactions energy: -98.587
where: short stacking energy: -49.507
Base-Backbone interact. energy: 1.522
local terms energy: -59.696806
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -14.560
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: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -88.607063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.607063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.607063 (E_RNA)
where:
Base-Base interactions energy: -38.851
where: short stacking energy: -26.844
Base-Backbone interact. energy: -0.437
local terms energy: -49.319968
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -121.482514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.482514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.482514 (E_RNA)
where:
Base-Base interactions energy: -70.872
where: short stacking energy: -38.934
Base-Backbone interact. energy: -0.036
local terms energy: -50.575150
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -88.762805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.762805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.762805 (E_RNA)
where:
Base-Base interactions energy: -35.447
where: short stacking energy: -30.533
Base-Backbone interact. energy: -0.059
local terms energy: -53.256576
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -226.031834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.031834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.031834 (E_RNA)
where:
Base-Base interactions energy: -154.990
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.997
local terms energy: -70.045692
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -15.175
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: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -225.918166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.918166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.918166 (E_RNA)
where:
Base-Base interactions energy: -147.005
where: short stacking energy: -75.214
Base-Backbone interact. energy: -0.020
local terms energy: -78.892714
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -20.777
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: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -219.298354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.298354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.298354 (E_RNA)
where:
Base-Base interactions energy: -148.219
where: short stacking energy: -67.105
Base-Backbone interact. energy: -1.263
local terms energy: -69.816248
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -208.576992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.576992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.576992 (E_RNA)
where:
Base-Base interactions energy: -132.658
where: short stacking energy: -55.819
Base-Backbone interact. energy: -0.874
local terms energy: -75.044979
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -185.229386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.229386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.229386 (E_RNA)
where:
Base-Base interactions energy: -122.139
where: short stacking energy: -45.199
Base-Backbone interact. energy: -0.014
local terms energy: -63.077060
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -10.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -183.423471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.423471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.423471 (E_RNA)
where:
Base-Base interactions energy: -117.482
where: short stacking energy: -56.695
Base-Backbone interact. energy: -0.060
local terms energy: -65.881172
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -11.482
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: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -146.374265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.374265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.374265 (E_RNA)
where:
Base-Base interactions energy: -97.951
where: short stacking energy: -35.996
Base-Backbone interact. energy: -0.748
local terms energy: -47.675561
where:
bonds (distance) C4'-P energy: -6.361
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -133.631754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.631754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.631754 (E_RNA)
where:
Base-Base interactions energy: -85.539
where: short stacking energy: -35.197
Base-Backbone interact. energy: 0.798
local terms energy: -48.890764
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -8.869
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -86.633004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.633004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.633004 (E_RNA)
where:
Base-Base interactions energy: -38.046
where: short stacking energy: -29.886
Base-Backbone interact. energy: -0.140
local terms energy: -48.446393
where:
bonds (distance) C4'-P energy: -7.235
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -75.723889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.723889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.723889 (E_RNA)
where:
Base-Base interactions energy: -29.987
where: short stacking energy: -26.339
Base-Backbone interact. energy: 2.704
local terms energy: -48.441545
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -6.627
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -5.179
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: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -235.856653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.856653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.856653 (E_RNA)
where:
Base-Base interactions energy: -153.248
where: short stacking energy: -74.593
Base-Backbone interact. energy: -0.466
local terms energy: -82.142637
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -22.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -222.233123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.233123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.233123 (E_RNA)
where:
Base-Base interactions energy: -147.185
where: short stacking energy: -68.716
Base-Backbone interact. energy: -0.122
local terms energy: -74.926024
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -221.259624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.259624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.259624 (E_RNA)
where:
Base-Base interactions energy: -145.762
where: short stacking energy: -69.752
Base-Backbone interact. energy: -0.031
local terms energy: -75.466637
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -202.846375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.846375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.846375 (E_RNA)
where:
Base-Base interactions energy: -143.179
where: short stacking energy: -61.979
Base-Backbone interact. energy: -1.237
local terms energy: -58.430773
where:
bonds (distance) C4'-P energy: -8.088
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -11.850
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: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -182.418652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.418652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.418652 (E_RNA)
where:
Base-Base interactions energy: -117.685
where: short stacking energy: -48.744
Base-Backbone interact. energy: -0.167
local terms energy: -64.566927
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -170.270019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.270019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.270019 (E_RNA)
where:
Base-Base interactions energy: -118.033
where: short stacking energy: -33.271
Base-Backbone interact. energy: -0.115
local terms energy: -52.122559
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -126.976967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.976967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.976967 (E_RNA)
where:
Base-Base interactions energy: -75.488
where: short stacking energy: -38.196
Base-Backbone interact. energy: -0.134
local terms energy: -51.355179
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -129.214760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.214760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.214760 (E_RNA)
where:
Base-Base interactions energy: -74.307
where: short stacking energy: -39.396
Base-Backbone interact. energy: -0.108
local terms energy: -54.799695
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -80.718672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.718672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.718672 (E_RNA)
where:
Base-Base interactions energy: -33.315
where: short stacking energy: -32.204
Base-Backbone interact. energy: -0.127
local terms energy: -47.276499
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -5.749
flat angles P-C4'-P energy: -7.123
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: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -77.959976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.959976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.959976 (E_RNA)
where:
Base-Base interactions energy: -30.278
where: short stacking energy: -22.227
Base-Backbone interact. energy: -0.708
local terms energy: -46.974196
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -5.775
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: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -228.227928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.227928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.227928 (E_RNA)
where:
Base-Base interactions energy: -150.086
where: short stacking energy: -70.824
Base-Backbone interact. energy: -0.043
local terms energy: -78.098850
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -13.687
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: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -216.173169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.173169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.173169 (E_RNA)
where:
Base-Base interactions energy: -150.037
where: short stacking energy: -62.232
Base-Backbone interact. energy: -0.051
local terms energy: -66.085258
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -14.370
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: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -213.390822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.390822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.390822 (E_RNA)
where:
Base-Base interactions energy: -146.652
where: short stacking energy: -55.124
Base-Backbone interact. energy: -0.672
local terms energy: -66.066654
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -218.324955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.324955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.324955 (E_RNA)
where:
Base-Base interactions energy: -146.760
where: short stacking energy: -69.820
Base-Backbone interact. energy: -0.292
local terms energy: -71.272751
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -12.017
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: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -186.210214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.210214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.210214 (E_RNA)
where:
Base-Base interactions energy: -116.710
where: short stacking energy: -56.966
Base-Backbone interact. energy: -0.006
local terms energy: -69.494532
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -195.390756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.390756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.390756 (E_RNA)
where:
Base-Base interactions energy: -120.032
where: short stacking energy: -58.901
Base-Backbone interact. energy: -0.007
local terms energy: -75.351607
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -17.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -124.979145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.979145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.979145 (E_RNA)
where:
Base-Base interactions energy: -72.480
where: short stacking energy: -37.866
Base-Backbone interact. energy: -0.034
local terms energy: -52.465818
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -4.158
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: 307
Temperature: 1.250000
Total energy: -124.802924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.802924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.802924 (E_RNA)
where:
Base-Base interactions energy: -68.317
where: short stacking energy: -33.132
Base-Backbone interact. energy: -0.052
local terms energy: -56.433939
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -77.002979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.002979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.002979 (E_RNA)
where:
Base-Base interactions energy: -32.209
where: short stacking energy: -17.159
Base-Backbone interact. energy: -0.050
local terms energy: -44.744214
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -0.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -80.571051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.571051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.571051 (E_RNA)
where:
Base-Base interactions energy: -30.192
where: short stacking energy: -26.962
Base-Backbone interact. energy: -0.151
local terms energy: -50.228636
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -7.902
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: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -224.656673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.656673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.656673 (E_RNA)
where:
Base-Base interactions energy: -152.151
where: short stacking energy: -69.839
Base-Backbone interact. energy: -0.020
local terms energy: -72.485798
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -224.084319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.084319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.084319 (E_RNA)
where:
Base-Base interactions energy: -148.956
where: short stacking energy: -65.004
Base-Backbone interact. energy: -0.339
local terms energy: -74.789471
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -225.651295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.651295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.651295 (E_RNA)
where:
Base-Base interactions energy: -148.554
where: short stacking energy: -69.013
Base-Backbone interact. energy: -0.372
local terms energy: -76.724776
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -207.601710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.601710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.601710 (E_RNA)
where:
Base-Base interactions energy: -132.078
where: short stacking energy: -58.562
Base-Backbone interact. energy: 0.077
local terms energy: -75.600382
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -180.312223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.312223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.312223 (E_RNA)
where:
Base-Base interactions energy: -121.944
where: short stacking energy: -50.466
Base-Backbone interact. energy: -0.108
local terms energy: -58.259908
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -170.601476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.601476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.601476 (E_RNA)
where:
Base-Base interactions energy: -110.053
where: short stacking energy: -48.892
Base-Backbone interact. energy: -0.144
local terms energy: -60.404642
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -10.223
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: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -127.499273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.499273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.499273 (E_RNA)
where:
Base-Base interactions energy: -72.087
where: short stacking energy: -36.102
Base-Backbone interact. energy: 0.202
local terms energy: -55.614993
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -92.524143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.524143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.524143 (E_RNA)
where:
Base-Base interactions energy: -36.700
where: short stacking energy: -28.433
Base-Backbone interact. energy: 1.086
local terms energy: -56.909815
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -98.187042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.187042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.187042 (E_RNA)
where:
Base-Base interactions energy: -51.538
where: short stacking energy: -25.044
Base-Backbone interact. energy: -0.154
local terms energy: -46.494732
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -78.935073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.935073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.935073 (E_RNA)
where:
Base-Base interactions energy: -26.015
where: short stacking energy: -23.048
Base-Backbone interact. energy: -0.356
local terms energy: -52.563716
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: 1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -227.814129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.814129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.814129 (E_RNA)
where:
Base-Base interactions energy: -141.076
where: short stacking energy: -73.239
Base-Backbone interact. energy: -1.295
local terms energy: -85.443644
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -14.106
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: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -231.669137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.669137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.669137 (E_RNA)
where:
Base-Base interactions energy: -149.327
where: short stacking energy: -69.072
Base-Backbone interact. energy: -0.578
local terms energy: -81.764170
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -208.054493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.054493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.054493 (E_RNA)
where:
Base-Base interactions energy: -129.138
where: short stacking energy: -57.885
Base-Backbone interact. energy: -0.415
local terms energy: -78.501424
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -183.925955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.925955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.925955 (E_RNA)
where:
Base-Base interactions energy: -116.310
where: short stacking energy: -53.158
Base-Backbone interact. energy: -0.004
local terms energy: -67.612284
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -207.191845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.191845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.191845 (E_RNA)
where:
Base-Base interactions energy: -148.821
where: short stacking energy: -68.958
Base-Backbone interact. energy: -0.005
local terms energy: -58.365459
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -176.273398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.273398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.273398 (E_RNA)
where:
Base-Base interactions energy: -109.594
where: short stacking energy: -52.180
Base-Backbone interact. energy: -0.103
local terms energy: -66.576830
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -119.914903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.914903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.914903 (E_RNA)
where:
Base-Base interactions energy: -72.333
where: short stacking energy: -27.883
Base-Backbone interact. energy: -0.078
local terms energy: -47.503827
where:
bonds (distance) C4'-P energy: -8.046
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -111.521102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.521102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.521102 (E_RNA)
where:
Base-Base interactions energy: -68.282
where: short stacking energy: -34.564
Base-Backbone interact. energy: 0.308
local terms energy: -43.547656
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -10.513
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -2.087
tors. eta vs tors. theta energy: -5.268
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: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -87.213126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.213126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.213126 (E_RNA)
where:
Base-Base interactions energy: -30.239
where: short stacking energy: -30.239
Base-Backbone interact. energy: -0.070
local terms energy: -56.903901
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -73.164982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.164982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.164982 (E_RNA)
where:
Base-Base interactions energy: -25.261
where: short stacking energy: -23.020
Base-Backbone interact. energy: -0.331
local terms energy: -47.572718
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -7.412
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -224.409032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.409032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.409032 (E_RNA)
where:
Base-Base interactions energy: -146.881
where: short stacking energy: -67.655
Base-Backbone interact. energy: -0.006
local terms energy: -77.521684
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -231.593080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.593080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.593080 (E_RNA)
where:
Base-Base interactions energy: -150.517
where: short stacking energy: -74.623
Base-Backbone interact. energy: -0.049
local terms energy: -81.027340
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -12.839
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: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -194.832522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.832522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.832522 (E_RNA)
where:
Base-Base interactions energy: -124.973
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.002
local terms energy: -69.858141
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -12.923
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: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -208.606411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.606411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.606411 (E_RNA)
where:
Base-Base interactions energy: -140.858
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.930
local terms energy: -66.818181
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -191.579056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.579056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.579056 (E_RNA)
where:
Base-Base interactions energy: -116.577
where: short stacking energy: -59.532
Base-Backbone interact. energy: 0.342
local terms energy: -75.344655
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -184.602895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.602895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.602895 (E_RNA)
where:
Base-Base interactions energy: -123.168
where: short stacking energy: -47.504
Base-Backbone interact. energy: -1.333
local terms energy: -60.102242
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -130.362747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.362747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.362747 (E_RNA)
where:
Base-Base interactions energy: -76.997
where: short stacking energy: -41.140
Base-Backbone interact. energy: -0.180
local terms energy: -53.184893
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: -9.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -85.839686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.839686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.839686 (E_RNA)
where:
Base-Base interactions energy: -36.003
where: short stacking energy: -31.686
Base-Backbone interact. energy: -0.159
local terms energy: -49.678015
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -8.389
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: 310
Temperature: 1.300000
Total energy: -76.600941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.600941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.600941 (E_RNA)
where:
Base-Base interactions energy: -33.245
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.047
local terms energy: -43.309440
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: 0.032
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -75.459959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.459959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.459959 (E_RNA)
where:
Base-Base interactions energy: -23.061
where: short stacking energy: -23.061
Base-Backbone interact. energy: -0.018
local terms energy: -52.380676
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -231.806041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.806041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.806041 (E_RNA)
where:
Base-Base interactions energy: -150.229
where: short stacking energy: -73.071
Base-Backbone interact. energy: -0.037
local terms energy: -81.540467
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -229.142476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.142476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.142476 (E_RNA)
where:
Base-Base interactions energy: -152.107
where: short stacking energy: -81.284
Base-Backbone interact. energy: -0.366
local terms energy: -76.669472
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -201.516401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.516401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.516401 (E_RNA)
where:
Base-Base interactions energy: -127.027
where: short stacking energy: -61.501
Base-Backbone interact. energy: -0.192
local terms energy: -74.296899
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -205.821777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.821777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.821777 (E_RNA)
where:
Base-Base interactions energy: -141.942
where: short stacking energy: -62.962
Base-Backbone interact. energy: -0.416
local terms energy: -63.464638
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -186.762278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.762278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.762278 (E_RNA)
where:
Base-Base interactions energy: -111.130
where: short stacking energy: -55.059
Base-Backbone interact. energy: 0.743
local terms energy: -76.375127
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -182.167790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.167790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.167790 (E_RNA)
where:
Base-Base interactions energy: -117.259
where: short stacking energy: -57.669
Base-Backbone interact. energy: -0.180
local terms energy: -64.728907
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -11.502
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: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -144.450994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.450994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.450994 (E_RNA)
where:
Base-Base interactions energy: -88.853
where: short stacking energy: -49.544
Base-Backbone interact. energy: -0.362
local terms energy: -55.235887
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -93.936498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.936498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.936498 (E_RNA)
where:
Base-Base interactions energy: -39.748
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.195
local terms energy: -53.993142
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -81.444944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.444944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.444944 (E_RNA)
where:
Base-Base interactions energy: -28.600
where: short stacking energy: -28.600
Base-Backbone interact. energy: -0.094
local terms energy: -52.750357
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -73.519001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.519001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.519001 (E_RNA)
where:
Base-Base interactions energy: -18.736
where: short stacking energy: -18.736
Base-Backbone interact. energy: -0.130
local terms energy: -54.652495
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -237.102366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.102366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.102366 (E_RNA)
where:
Base-Base interactions energy: -155.172
where: short stacking energy: -77.022
Base-Backbone interact. energy: -0.006
local terms energy: -81.923964
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -224.933325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.933325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.933325 (E_RNA)
where:
Base-Base interactions energy: -149.990
where: short stacking energy: -74.253
Base-Backbone interact. energy: -0.002
local terms energy: -74.941025
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -212.806962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.806962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.806962 (E_RNA)
where:
Base-Base interactions energy: -139.436
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.352
local terms energy: -73.018508
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -196.855978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.855978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.855978 (E_RNA)
where:
Base-Base interactions energy: -133.825
where: short stacking energy: -58.155
Base-Backbone interact. energy: 0.136
local terms energy: -63.166851
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -8.940
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -14.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -198.412460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.412460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.412460 (E_RNA)
where:
Base-Base interactions energy: -134.056
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.396
local terms energy: -63.960642
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -189.930812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.930812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.930812 (E_RNA)
where:
Base-Base interactions energy: -111.720
where: short stacking energy: -58.804
Base-Backbone interact. energy: -0.102
local terms energy: -78.108548
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -143.124443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.124443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.124443 (E_RNA)
where:
Base-Base interactions energy: -89.050
where: short stacking energy: -47.829
Base-Backbone interact. energy: -0.094
local terms energy: -53.980504
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -7.796
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: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -82.776379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.776379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.776379 (E_RNA)
where:
Base-Base interactions energy: -28.810
where: short stacking energy: -28.810
Base-Backbone interact. energy: -0.169
local terms energy: -53.797321
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -84.044656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.044656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.044656 (E_RNA)
where:
Base-Base interactions energy: -32.398
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.116
local terms energy: -51.530523
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -85.046812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.046812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.046812 (E_RNA)
where:
Base-Base interactions energy: -28.929
where: short stacking energy: -20.985
Base-Backbone interact. energy: -0.986
local terms energy: -55.131644
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -233.443423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.443423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.443423 (E_RNA)
where:
Base-Base interactions energy: -151.086
where: short stacking energy: -77.080
Base-Backbone interact. energy: -0.036
local terms energy: -82.321680
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -229.315903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.315903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.315903 (E_RNA)
where:
Base-Base interactions energy: -154.513
where: short stacking energy: -72.534
Base-Backbone interact. energy: -0.292
local terms energy: -74.510988
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -19.872
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: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -214.035134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.035134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.035134 (E_RNA)
where:
Base-Base interactions energy: -141.748
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.055
local terms energy: -72.231773
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -203.126068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.126068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.126068 (E_RNA)
where:
Base-Base interactions energy: -135.774
where: short stacking energy: -63.819
Base-Backbone interact. energy: 0.173
local terms energy: -67.524855
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -14.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -183.350205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.350205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.350205 (E_RNA)
where:
Base-Base interactions energy: -113.133
where: short stacking energy: -50.163
Base-Backbone interact. energy: -0.002
local terms energy: -70.215496
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -11.836
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: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -176.360716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.360716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.360716 (E_RNA)
where:
Base-Base interactions energy: -120.241
where: short stacking energy: -57.579
Base-Backbone interact. energy: -0.708
local terms energy: -55.412012
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -7.575
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -140.600762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.600762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.600762 (E_RNA)
where:
Base-Base interactions energy: -77.717
where: short stacking energy: -40.706
Base-Backbone interact. energy: -0.539
local terms energy: -62.345158
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -98.393046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.393046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.393046 (E_RNA)
where:
Base-Base interactions energy: -43.318
where: short stacking energy: -35.060
Base-Backbone interact. energy: -0.283
local terms energy: -54.792261
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -88.222130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.222130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.222130 (E_RNA)
where:
Base-Base interactions energy: -34.551
where: short stacking energy: -31.277
Base-Backbone interact. energy: -0.109
local terms energy: -53.562753
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -77.253989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.253989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.253989 (E_RNA)
where:
Base-Base interactions energy: -30.594
where: short stacking energy: -25.206
Base-Backbone interact. energy: -0.265
local terms energy: -46.395093
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -234.038021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.038021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.038021 (E_RNA)
where:
Base-Base interactions energy: -156.981
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.000
local terms energy: -77.056688
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -227.380599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.380599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.380599 (E_RNA)
where:
Base-Base interactions energy: -149.586
where: short stacking energy: -71.985
Base-Backbone interact. energy: -0.159
local terms energy: -77.635392
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -211.491994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.491994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.491994 (E_RNA)
where:
Base-Base interactions energy: -137.645
where: short stacking energy: -61.886
Base-Backbone interact. energy: -0.457
local terms energy: -73.390807
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -15.654
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: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -201.439639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.439639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.439639 (E_RNA)
where:
Base-Base interactions energy: -128.168
where: short stacking energy: -55.896
Base-Backbone interact. energy: -0.093
local terms energy: -73.179081
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -14.097
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: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -171.717295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.717295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.717295 (E_RNA)
where:
Base-Base interactions energy: -111.381
where: short stacking energy: -59.086
Base-Backbone interact. energy: 1.050
local terms energy: -61.386168
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -12.198
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: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -176.943156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.943156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.943156 (E_RNA)
where:
Base-Base interactions energy: -118.764
where: short stacking energy: -57.125
Base-Backbone interact. energy: -1.071
local terms energy: -57.108047
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -103.908925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.908925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.908925 (E_RNA)
where:
Base-Base interactions energy: -47.300
where: short stacking energy: -30.569
Base-Backbone interact. energy: 0.498
local terms energy: -57.107653
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -2.910
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: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -126.953670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.953670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.953670 (E_RNA)
where:
Base-Base interactions energy: -65.558
where: short stacking energy: -34.928
Base-Backbone interact. energy: -1.311
local terms energy: -60.084327
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -79.113791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.113791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.113791 (E_RNA)
where:
Base-Base interactions energy: -40.983
where: short stacking energy: -40.127
Base-Backbone interact. energy: -0.007
local terms energy: -38.124612
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -3.574
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: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -83.079755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.079755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.079755 (E_RNA)
where:
Base-Base interactions energy: -26.895
where: short stacking energy: -21.683
Base-Backbone interact. energy: -0.265
local terms energy: -55.919810
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -222.720049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.720049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.720049 (E_RNA)
where:
Base-Base interactions energy: -151.891
where: short stacking energy: -68.032
Base-Backbone interact. energy: 0.861
local terms energy: -71.690108
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -217.079075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.079075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.079075 (E_RNA)
where:
Base-Base interactions energy: -149.841
where: short stacking energy: -66.542
Base-Backbone interact. energy: 0.164
local terms energy: -67.402572
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -228.084011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.084011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.084011 (E_RNA)
where:
Base-Base interactions energy: -157.863
where: short stacking energy: -79.821
Base-Backbone interact. energy: 0.349
local terms energy: -70.569236
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -195.725734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.725734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.725734 (E_RNA)
where:
Base-Base interactions energy: -136.253
where: short stacking energy: -55.570
Base-Backbone interact. energy: -0.060
local terms energy: -59.412822
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -197.031814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.031814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.031814 (E_RNA)
where:
Base-Base interactions energy: -126.035
where: short stacking energy: -50.559
Base-Backbone interact. energy: -0.453
local terms energy: -70.543635
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -11.391
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: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -185.858285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.858285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.858285 (E_RNA)
where:
Base-Base interactions energy: -116.915
where: short stacking energy: -57.367
Base-Backbone interact. energy: 2.196
local terms energy: -71.139602
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -85.113511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.113511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.113511 (E_RNA)
where:
Base-Base interactions energy: -43.517
where: short stacking energy: -30.002
Base-Backbone interact. energy: 1.753
local terms energy: -43.348696
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -5.951
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -125.277449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.277449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.277449 (E_RNA)
where:
Base-Base interactions energy: -68.535
where: short stacking energy: -32.544
Base-Backbone interact. energy: 0.707
local terms energy: -57.449251
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -73.948203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.948203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.948203 (E_RNA)
where:
Base-Base interactions energy: -28.562
where: short stacking energy: -18.986
Base-Backbone interact. energy: -0.119
local terms energy: -45.267375
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -74.255722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.255722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.255722 (E_RNA)
where:
Base-Base interactions energy: -28.196
where: short stacking energy: -17.968
Base-Backbone interact. energy: 1.347
local terms energy: -47.406367
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -0.776
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: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -225.852811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.852811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.852811 (E_RNA)
where:
Base-Base interactions energy: -149.595
where: short stacking energy: -70.033
Base-Backbone interact. energy: -0.280
local terms energy: -75.978217
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -211.146371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.146371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.146371 (E_RNA)
where:
Base-Base interactions energy: -144.139
where: short stacking energy: -70.134
Base-Backbone interact. energy: 0.334
local terms energy: -67.341508
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -228.090310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.090310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.090310 (E_RNA)
where:
Base-Base interactions energy: -150.203
where: short stacking energy: -76.227
Base-Backbone interact. energy: -0.001
local terms energy: -77.886020
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -193.227975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.227975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.227975 (E_RNA)
where:
Base-Base interactions energy: -122.096
where: short stacking energy: -53.611
Base-Backbone interact. energy: -0.008
local terms energy: -71.124321
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -185.920107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.920107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.920107 (E_RNA)
where:
Base-Base interactions energy: -127.499
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.328
local terms energy: -58.092714
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -187.240136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.240136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.240136 (E_RNA)
where:
Base-Base interactions energy: -117.907
where: short stacking energy: -60.391
Base-Backbone interact. energy: -0.007
local terms energy: -69.326021
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -134.002196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.002196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.002196 (E_RNA)
where:
Base-Base interactions energy: -82.570
where: short stacking energy: -38.123
Base-Backbone interact. energy: -0.120
local terms energy: -51.312526
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -101.660397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.660397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.660397 (E_RNA)
where:
Base-Base interactions energy: -47.921
where: short stacking energy: -37.279
Base-Backbone interact. energy: -0.607
local terms energy: -53.131768
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -8.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -87.346233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.346233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.346233 (E_RNA)
where:
Base-Base interactions energy: -32.282
where: short stacking energy: -29.807
Base-Backbone interact. energy: -0.469
local terms energy: -54.595380
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -6.425
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: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -75.933524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.933524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.933524 (E_RNA)
where:
Base-Base interactions energy: -27.507
where: short stacking energy: -21.220
Base-Backbone interact. energy: -0.283
local terms energy: -48.143517
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -227.389817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.389817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.389817 (E_RNA)
where:
Base-Base interactions energy: -149.005
where: short stacking energy: -74.291
Base-Backbone interact. energy: -0.002
local terms energy: -78.382342
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -215.502602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.502602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.502602 (E_RNA)
where:
Base-Base interactions energy: -145.814
where: short stacking energy: -62.503
Base-Backbone interact. energy: -0.304
local terms energy: -69.384688
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -201.397801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.397801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.397801 (E_RNA)
where:
Base-Base interactions energy: -132.239
where: short stacking energy: -67.168
Base-Backbone interact. energy: -0.683
local terms energy: -68.475824
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -211.739467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.739467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.739467 (E_RNA)
where:
Base-Base interactions energy: -147.826
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.030
local terms energy: -63.883934
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -8.319
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: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -181.465870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.465870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.465870 (E_RNA)
where:
Base-Base interactions energy: -116.895
where: short stacking energy: -58.304
Base-Backbone interact. energy: 0.435
local terms energy: -65.005872
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -184.410276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.410276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.410276 (E_RNA)
where:
Base-Base interactions energy: -127.884
where: short stacking energy: -52.833
Base-Backbone interact. energy: -0.372
local terms energy: -56.153745
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -7.625
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -135.948204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.948204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.948204 (E_RNA)
where:
Base-Base interactions energy: -79.083
where: short stacking energy: -49.235
Base-Backbone interact. energy: -0.095
local terms energy: -56.769924
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -8.520
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: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -79.712914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.712914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.712914 (E_RNA)
where:
Base-Base interactions energy: -21.613
where: short stacking energy: -21.613
Base-Backbone interact. energy: -0.128
local terms energy: -57.971284
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -91.289393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.289393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.289393 (E_RNA)
where:
Base-Base interactions energy: -34.024
where: short stacking energy: -34.024
Base-Backbone interact. energy: -0.020
local terms energy: -57.246302
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -71.042057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.042057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.042057 (E_RNA)
where:
Base-Base interactions energy: -26.933
where: short stacking energy: -23.403
Base-Backbone interact. energy: -0.763
local terms energy: -43.346512
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: 4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -230.652909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.652909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.652909 (E_RNA)
where:
Base-Base interactions energy: -156.812
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.041
local terms energy: -73.800790
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -221.442451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.442451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.442451 (E_RNA)
where:
Base-Base interactions energy: -135.644
where: short stacking energy: -61.415
Base-Backbone interact. energy: -0.412
local terms energy: -85.387132
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -18.031
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: 318
Temperature: 1.000000
Total energy: -207.592460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.592460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.592460 (E_RNA)
where:
Base-Base interactions energy: -151.368
where: short stacking energy: -59.423
Base-Backbone interact. energy: -0.090
local terms energy: -56.133738
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -6.818
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: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -192.843593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.843593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.843593 (E_RNA)
where:
Base-Base interactions energy: -126.497
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.072
local terms energy: -66.274670
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -13.652
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: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -174.884658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.884658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.884658 (E_RNA)
where:
Base-Base interactions energy: -110.210
where: short stacking energy: -46.473
Base-Backbone interact. energy: -1.342
local terms energy: -63.333193
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -185.604293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.604293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.604293 (E_RNA)
where:
Base-Base interactions energy: -123.047
where: short stacking energy: -61.491
Base-Backbone interact. energy: -0.092
local terms energy: -62.465389
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -134.669108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.669108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.669108 (E_RNA)
where:
Base-Base interactions energy: -78.696
where: short stacking energy: -44.504
Base-Backbone interact. energy: -0.014
local terms energy: -55.958780
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -5.545
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -91.663347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.663347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.663347 (E_RNA)
where:
Base-Base interactions energy: -33.797
where: short stacking energy: -33.079
Base-Backbone interact. energy: -0.084
local terms energy: -57.782949
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -11.448
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: 318
Temperature: 1.300000
Total energy: -83.654938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.654938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.654938 (E_RNA)
where:
Base-Base interactions energy: -35.742
where: short stacking energy: -35.742
Base-Backbone interact. energy: -0.098
local terms energy: -47.814129
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -7.545
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -80.548507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.548507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.548507 (E_RNA)
where:
Base-Base interactions energy: -28.890
where: short stacking energy: -28.890
Base-Backbone interact. energy: -0.113
local terms energy: -51.545580
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -235.200191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.200191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.200191 (E_RNA)
where:
Base-Base interactions energy: -154.681
where: short stacking energy: -79.336
Base-Backbone interact. energy: -0.137
local terms energy: -80.382163
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -213.277841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.277841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.277841 (E_RNA)
where:
Base-Base interactions energy: -141.544
where: short stacking energy: -59.653
Base-Backbone interact. energy: 1.908
local terms energy: -73.641702
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -194.985533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.985533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.985533 (E_RNA)
where:
Base-Base interactions energy: -127.317
where: short stacking energy: -54.869
Base-Backbone interact. energy: 0.329
local terms energy: -67.997665
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -11.742
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: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -195.270421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.270421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.270421 (E_RNA)
where:
Base-Base interactions energy: -126.470
where: short stacking energy: -62.996
Base-Backbone interact. energy: -0.046
local terms energy: -68.754541
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -10.095
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: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -174.450064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.450064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.450064 (E_RNA)
where:
Base-Base interactions energy: -117.516
where: short stacking energy: -53.412
Base-Backbone interact. energy: -0.126
local terms energy: -56.808227
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -8.877
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -179.928076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.928076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.928076 (E_RNA)
where:
Base-Base interactions energy: -123.553
where: short stacking energy: -53.722
Base-Backbone interact. energy: -0.161
local terms energy: -56.214133
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -83.267938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.267938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.267938 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -25.207
Base-Backbone interact. energy: -0.167
local terms energy: -48.855072
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -88.473633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.473633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.473633 (E_RNA)
where:
Base-Base interactions energy: -41.297
where: short stacking energy: -33.292
Base-Backbone interact. energy: -0.783
local terms energy: -46.392941
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -5.654
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -3.414
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: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -77.160507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.160507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.160507 (E_RNA)
where:
Base-Base interactions energy: -28.374
where: short stacking energy: -28.374
Base-Backbone interact. energy: 1.268
local terms energy: -50.055041
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -4.204
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: 319
Temperature: 1.350000
Total energy: -75.693351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.693351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.693351 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -28.829
Base-Backbone interact. energy: -0.231
local terms energy: -43.701743
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -0.637
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: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -224.393976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.393976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.393976 (E_RNA)
where:
Base-Base interactions energy: -147.059
where: short stacking energy: -68.733
Base-Backbone interact. energy: 0.214
local terms energy: -77.549880
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -21.614
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: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -228.569815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.569815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.569815 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -73.384
Base-Backbone interact. energy: -0.643
local terms energy: -81.269947
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -20.154
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: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -206.735039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.735039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.735039 (E_RNA)
where:
Base-Base interactions energy: -133.208
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.580
local terms energy: -72.947604
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -204.132203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.132203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.132203 (E_RNA)
where:
Base-Base interactions energy: -139.043
where: short stacking energy: -62.429
Base-Backbone interact. energy: -0.193
local terms energy: -64.896378
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -17.049
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: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -176.949643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.949643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.949643 (E_RNA)
where:
Base-Base interactions energy: -113.441
where: short stacking energy: -56.167
Base-Backbone interact. energy: 0.277
local terms energy: -63.786543
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -8.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -176.560613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.560613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.560613 (E_RNA)
where:
Base-Base interactions energy: -107.144
where: short stacking energy: -55.082
Base-Backbone interact. energy: -0.001
local terms energy: -69.415713
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -89.253687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.253687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.253687 (E_RNA)
where:
Base-Base interactions energy: -41.863
where: short stacking energy: -36.425
Base-Backbone interact. energy: -0.099
local terms energy: -47.292495
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -81.072450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.072450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.072450 (E_RNA)
where:
Base-Base interactions energy: -30.855
where: short stacking energy: -13.218
Base-Backbone interact. energy: -0.220
local terms energy: -49.996982
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: 1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -79.412655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.412655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.412655 (E_RNA)
where:
Base-Base interactions energy: -27.841
where: short stacking energy: -27.841
Base-Backbone interact. energy: -0.148
local terms energy: -51.423642
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -75.965181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.965181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.965181 (E_RNA)
where:
Base-Base interactions energy: -31.319
where: short stacking energy: -30.716
Base-Backbone interact. energy: 0.183
local terms energy: -44.828676
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -223.291558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.291558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.291558 (E_RNA)
where:
Base-Base interactions energy: -142.711
where: short stacking energy: -71.137
Base-Backbone interact. energy: -0.906
local terms energy: -79.675459
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -208.231849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.231849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.231849 (E_RNA)
where:
Base-Base interactions energy: -138.548
where: short stacking energy: -64.111
Base-Backbone interact. energy: -0.257
local terms energy: -69.427405
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -216.097313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.097313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.097313 (E_RNA)
where:
Base-Base interactions energy: -146.985
where: short stacking energy: -64.441
Base-Backbone interact. energy: -0.104
local terms energy: -69.008608
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -202.341885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.341885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.341885 (E_RNA)
where:
Base-Base interactions energy: -132.071
where: short stacking energy: -59.192
Base-Backbone interact. energy: 0.874
local terms energy: -71.145224
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -185.610016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.610016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.610016 (E_RNA)
where:
Base-Base interactions energy: -125.943
where: short stacking energy: -64.026
Base-Backbone interact. energy: 1.038
local terms energy: -60.705062
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -12.355
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: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -177.184749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.184749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.184749 (E_RNA)
where:
Base-Base interactions energy: -114.301
where: short stacking energy: -56.056
Base-Backbone interact. energy: -0.125
local terms energy: -62.758724
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -97.116697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.116697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.116697 (E_RNA)
where:
Base-Base interactions energy: -49.821
where: short stacking energy: -35.116
Base-Backbone interact. energy: -0.119
local terms energy: -47.176099
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -102.901282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.901282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.901282 (E_RNA)
where:
Base-Base interactions energy: -47.925
where: short stacking energy: -30.861
Base-Backbone interact. energy: -0.546
local terms energy: -54.429733
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -84.374759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.374759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.374759 (E_RNA)
where:
Base-Base interactions energy: -30.399
where: short stacking energy: -30.399
Base-Backbone interact. energy: -0.049
local terms energy: -53.926261
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -7.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -81.770787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.770787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.770787 (E_RNA)
where:
Base-Base interactions energy: -27.262
where: short stacking energy: -27.262
Base-Backbone interact. energy: -0.066
local terms energy: -54.443691
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -4.022
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: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -220.009491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.009491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.009491 (E_RNA)
where:
Base-Base interactions energy: -157.230
where: short stacking energy: -68.731
Base-Backbone interact. energy: 1.265
local terms energy: -64.044272
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -9.817
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: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -223.615233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.615233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.615233 (E_RNA)
where:
Base-Base interactions energy: -147.239
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.300
local terms energy: -76.076561
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -206.053004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.053004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.053004 (E_RNA)
where:
Base-Base interactions energy: -136.207
where: short stacking energy: -69.663
Base-Backbone interact. energy: -0.334
local terms energy: -69.511705
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -16.590
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: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -207.189672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.189672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.189672 (E_RNA)
where:
Base-Base interactions energy: -135.585
where: short stacking energy: -73.637
Base-Backbone interact. energy: -0.018
local terms energy: -71.586169
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -8.175
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -170.062211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.062211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.062211 (E_RNA)
where:
Base-Base interactions energy: -116.033
where: short stacking energy: -62.138
Base-Backbone interact. energy: -0.063
local terms energy: -53.965608
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -7.815
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -185.712988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.712988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.712988 (E_RNA)
where:
Base-Base interactions energy: -117.439
where: short stacking energy: -61.049
Base-Backbone interact. energy: 0.139
local terms energy: -68.412159
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -116.127829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.127829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.127829 (E_RNA)
where:
Base-Base interactions energy: -62.126
where: short stacking energy: -35.685
Base-Backbone interact. energy: -0.166
local terms energy: -53.835677
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.262
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: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -109.001384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.001384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.001384 (E_RNA)
where:
Base-Base interactions energy: -60.103
where: short stacking energy: -24.467
Base-Backbone interact. energy: -0.129
local terms energy: -48.769595
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -86.893598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.893598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.893598 (E_RNA)
where:
Base-Base interactions energy: -39.012
where: short stacking energy: -35.122
Base-Backbone interact. energy: 1.886
local terms energy: -49.767083
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -6.770
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: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -79.522985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.522985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.522985 (E_RNA)
where:
Base-Base interactions energy: -30.023
where: short stacking energy: -24.929
Base-Backbone interact. energy: -0.176
local terms energy: -49.324251
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: 2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -212.156155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.156155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.156155 (E_RNA)
where:
Base-Base interactions energy: -136.201
where: short stacking energy: -63.675
Base-Backbone interact. energy: -0.029
local terms energy: -75.926051
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -20.779
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: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -211.272348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.272348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.272348 (E_RNA)
where:
Base-Base interactions energy: -142.805
where: short stacking energy: -64.052
Base-Backbone interact. energy: -0.701
local terms energy: -67.766413
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -14.850
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: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -194.424492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.424492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.424492 (E_RNA)
where:
Base-Base interactions energy: -127.609
where: short stacking energy: -57.668
Base-Backbone interact. energy: -0.239
local terms energy: -66.576538
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -180.727741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.727741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.727741 (E_RNA)
where:
Base-Base interactions energy: -115.486
where: short stacking energy: -51.126
Base-Backbone interact. energy: -0.135
local terms energy: -65.106826
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -212.229434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.229434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.229434 (E_RNA)
where:
Base-Base interactions energy: -141.084
where: short stacking energy: -74.699
Base-Backbone interact. energy: -0.004
local terms energy: -71.142048
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -184.057282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.057282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.057282 (E_RNA)
where:
Base-Base interactions energy: -120.598
where: short stacking energy: -51.923
Base-Backbone interact. energy: -0.161
local terms energy: -63.298594
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -10.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -90.909758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.909758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.909758 (E_RNA)
where:
Base-Base interactions energy: -39.229
where: short stacking energy: -36.812
Base-Backbone interact. energy: 1.036
local terms energy: -52.717389
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -8.785
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: 323
Temperature: 1.250000
Total energy: -95.761726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.761726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.761726 (E_RNA)
where:
Base-Base interactions energy: -49.519
where: short stacking energy: -38.482
Base-Backbone interact. energy: -0.086
local terms energy: -46.157698
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -92.390376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.390376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.390376 (E_RNA)
where:
Base-Base interactions energy: -38.224
where: short stacking energy: -38.224
Base-Backbone interact. energy: -0.042
local terms energy: -54.123614
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -73.793341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.793341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.793341 (E_RNA)
where:
Base-Base interactions energy: -28.263
where: short stacking energy: -27.057
Base-Backbone interact. energy: -0.253
local terms energy: -45.277194
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -1.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -220.093161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.093161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.093161 (E_RNA)
where:
Base-Base interactions energy: -149.786
where: short stacking energy: -68.325
Base-Backbone interact. energy: -0.843
local terms energy: -69.464768
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -213.190334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.190334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.190334 (E_RNA)
where:
Base-Base interactions energy: -143.820
where: short stacking energy: -62.171
Base-Backbone interact. energy: 0.091
local terms energy: -69.461459
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -6.555
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: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -193.203430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.203430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.203430 (E_RNA)
where:
Base-Base interactions energy: -121.617
where: short stacking energy: -56.070
Base-Backbone interact. energy: -0.621
local terms energy: -70.964809
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -217.569772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.569772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.569772 (E_RNA)
where:
Base-Base interactions energy: -142.286
where: short stacking energy: -68.000
Base-Backbone interact. energy: -0.000
local terms energy: -75.284202
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -17.823
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: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -187.065256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.065256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.065256 (E_RNA)
where:
Base-Base interactions energy: -116.038
where: short stacking energy: -48.361
Base-Backbone interact. energy: 0.553
local terms energy: -71.580870
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -185.760544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.760544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.760544 (E_RNA)
where:
Base-Base interactions energy: -115.565
where: short stacking energy: -54.327
Base-Backbone interact. energy: -0.648
local terms energy: -69.547774
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -93.797959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.797959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.797959 (E_RNA)
where:
Base-Base interactions energy: -41.224
where: short stacking energy: -35.438
Base-Backbone interact. energy: 1.757
local terms energy: -54.331497
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -5.578
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: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -96.728112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.728112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.728112 (E_RNA)
where:
Base-Base interactions energy: -43.474
where: short stacking energy: -25.906
Base-Backbone interact. energy: -0.519
local terms energy: -52.734702
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -80.565259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.565259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.565259 (E_RNA)
where:
Base-Base interactions energy: -28.740
where: short stacking energy: -25.097
Base-Backbone interact. energy: -0.258
local terms energy: -51.566464
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -81.877276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.877276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.877276 (E_RNA)
where:
Base-Base interactions energy: -37.817
where: short stacking energy: -18.346
Base-Backbone interact. energy: 0.771
local terms energy: -44.830444
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -9.958
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -10.771
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: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -224.385682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.385682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.385682 (E_RNA)
where:
Base-Base interactions energy: -149.199
where: short stacking energy: -68.107
Base-Backbone interact. energy: -0.570
local terms energy: -74.616654
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -200.390377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.390377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.390377 (E_RNA)
where:
Base-Base interactions energy: -125.078
where: short stacking energy: -65.571
Base-Backbone interact. energy: -0.016
local terms energy: -75.295853
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -16.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -200.273218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.273218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.273218 (E_RNA)
where:
Base-Base interactions energy: -129.750
where: short stacking energy: -50.114
Base-Backbone interact. energy: 0.532
local terms energy: -71.055104
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -210.356812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.356812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.356812 (E_RNA)
where:
Base-Base interactions energy: -141.840
where: short stacking energy: -70.654
Base-Backbone interact. energy: -0.093
local terms energy: -68.422887
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -8.728
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -212.226589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.226589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.226589 (E_RNA)
where:
Base-Base interactions energy: -138.847
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.658
local terms energy: -72.721612
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -96.898656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.898656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.898656 (E_RNA)
where:
Base-Base interactions energy: -39.205
where: short stacking energy: -39.205
Base-Backbone interact. energy: -0.000
local terms energy: -57.693495
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -179.028938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.028938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.028938 (E_RNA)
where:
Base-Base interactions energy: -117.086
where: short stacking energy: -55.246
Base-Backbone interact. energy: -0.025
local terms energy: -61.918429
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -8.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -88.952568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.952568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.952568 (E_RNA)
where:
Base-Base interactions energy: -34.521
where: short stacking energy: -34.521
Base-Backbone interact. energy: -0.012
local terms energy: -54.419477
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -89.585702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.585702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.585702 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -26.542
Base-Backbone interact. energy: -0.008
local terms energy: -50.744611
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -1.149
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: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -70.144959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.144959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.144959 (E_RNA)
where:
Base-Base interactions energy: -28.538
where: short stacking energy: -20.960
Base-Backbone interact. energy: -0.284
local terms energy: -41.322098
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -0.175
tors. eta vs tors. theta energy: 0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -222.587843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.587843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.587843 (E_RNA)
where:
Base-Base interactions energy: -147.567
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.865
local terms energy: -74.156145
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -13.431
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: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -194.286743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.286743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.286743 (E_RNA)
where:
Base-Base interactions energy: -125.182
where: short stacking energy: -59.872
Base-Backbone interact. energy: -0.117
local terms energy: -68.987203
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.460
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: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -205.614122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.614122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.614122 (E_RNA)
where:
Base-Base interactions energy: -129.248
where: short stacking energy: -53.947
Base-Backbone interact. energy: -0.097
local terms energy: -76.268526
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -185.853459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.853459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.853459 (E_RNA)
where:
Base-Base interactions energy: -118.978
where: short stacking energy: -60.576
Base-Backbone interact. energy: -0.251
local terms energy: -66.624851
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -211.984439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.984439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.984439 (E_RNA)
where:
Base-Base interactions energy: -149.888
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.001
local terms energy: -62.095077
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -95.925382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.925382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.925382 (E_RNA)
where:
Base-Base interactions energy: -36.789
where: short stacking energy: -34.727
Base-Backbone interact. energy: -0.195
local terms energy: -58.941117
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -174.274056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.274056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.274056 (E_RNA)
where:
Base-Base interactions energy: -114.648
where: short stacking energy: -53.626
Base-Backbone interact. energy: -0.282
local terms energy: -59.344154
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -13.171
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: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -101.607502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.607502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.607502 (E_RNA)
where:
Base-Base interactions energy: -44.796
where: short stacking energy: -32.743
Base-Backbone interact. energy: -0.889
local terms energy: -55.922567
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -6.357
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: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -77.966678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.966678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.966678 (E_RNA)
where:
Base-Base interactions energy: -26.840
where: short stacking energy: -20.090
Base-Backbone interact. energy: -0.849
local terms energy: -50.277132
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -75.660965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.660965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.660965 (E_RNA)
where:
Base-Base interactions energy: -25.071
where: short stacking energy: -22.657
Base-Backbone interact. energy: -0.149
local terms energy: -50.440931
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -214.740098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.740098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.740098 (E_RNA)
where:
Base-Base interactions energy: -131.090
where: short stacking energy: -56.030
Base-Backbone interact. energy: -0.425
local terms energy: -83.225498
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -214.149731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.149731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.149731 (E_RNA)
where:
Base-Base interactions energy: -141.143
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.019
local terms energy: -72.988365
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -10.824
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: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -187.043836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.043836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.043836 (E_RNA)
where:
Base-Base interactions energy: -127.688
where: short stacking energy: -48.119
Base-Backbone interact. energy: -0.209
local terms energy: -59.146788
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -222.743819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.743819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.743819 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -72.417
Base-Backbone interact. energy: -0.078
local terms energy: -77.157314
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -188.169248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.169248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.169248 (E_RNA)
where:
Base-Base interactions energy: -124.851
where: short stacking energy: -62.290
Base-Backbone interact. energy: -0.055
local terms energy: -63.263666
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -18.364
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: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -198.121297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.121297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.121297 (E_RNA)
where:
Base-Base interactions energy: -134.045
where: short stacking energy: -53.657
Base-Backbone interact. energy: -0.050
local terms energy: -64.025683
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -13.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -94.278536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.278536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.278536 (E_RNA)
where:
Base-Base interactions energy: -32.832
where: short stacking energy: -32.832
Base-Backbone interact. energy: -0.055
local terms energy: -61.390832
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -13.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -100.645310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.645310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.645310 (E_RNA)
where:
Base-Base interactions energy: -53.810
where: short stacking energy: -34.453
Base-Backbone interact. energy: -0.208
local terms energy: -46.626691
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -87.295086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.295086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.295086 (E_RNA)
where:
Base-Base interactions energy: -39.507
where: short stacking energy: -39.507
Base-Backbone interact. energy: 0.294
local terms energy: -48.081913
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -5.236
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: 327
Temperature: 1.350000
Total energy: -82.098390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.098390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.098390 (E_RNA)
where:
Base-Base interactions energy: -32.966
where: short stacking energy: -23.844
Base-Backbone interact. energy: -0.036
local terms energy: -49.096891
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -229.736534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.736534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.736534 (E_RNA)
where:
Base-Base interactions energy: -149.252
where: short stacking energy: -76.967
Base-Backbone interact. energy: -0.053
local terms energy: -80.431620
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -216.989060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.989060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.989060 (E_RNA)
where:
Base-Base interactions energy: -141.136
where: short stacking energy: -69.475
Base-Backbone interact. energy: -0.502
local terms energy: -75.351439
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -215.502149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.502149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.502149 (E_RNA)
where:
Base-Base interactions energy: -138.810
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.002
local terms energy: -76.690024
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -200.241389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.241389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.241389 (E_RNA)
where:
Base-Base interactions energy: -136.073
where: short stacking energy: -49.800
Base-Backbone interact. energy: -0.259
local terms energy: -63.909079
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -13.132
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: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -179.014128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.014128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.014128 (E_RNA)
where:
Base-Base interactions energy: -112.835
where: short stacking energy: -52.590
Base-Backbone interact. energy: -1.013
local terms energy: -65.165558
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -179.678119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.678119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.678119 (E_RNA)
where:
Base-Base interactions energy: -117.187
where: short stacking energy: -58.687
Base-Backbone interact. energy: -0.090
local terms energy: -62.400612
where:
bonds (distance) C4'-P energy: -8.158
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -104.995830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.995830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.995830 (E_RNA)
where:
Base-Base interactions energy: -50.926
where: short stacking energy: -42.116
Base-Backbone interact. energy: -0.084
local terms energy: -53.985664
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -80.915127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.915127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.915127 (E_RNA)
where:
Base-Base interactions energy: -24.722
where: short stacking energy: -24.722
Base-Backbone interact. energy: -0.103
local terms energy: -56.089676
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -80.636639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.636639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.636639 (E_RNA)
where:
Base-Base interactions energy: -33.960
where: short stacking energy: -31.484
Base-Backbone interact. energy: -0.149
local terms energy: -46.527995
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: 0.614
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: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -77.688392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.688392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.688392 (E_RNA)
where:
Base-Base interactions energy: -28.646
where: short stacking energy: -26.373
Base-Backbone interact. energy: -0.121
local terms energy: -48.922006
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -8.929
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -3.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -228.503238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.503238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.503238 (E_RNA)
where:
Base-Base interactions energy: -153.197
where: short stacking energy: -75.719
Base-Backbone interact. energy: -0.002
local terms energy: -75.304154
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -216.430623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.430623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.430623 (E_RNA)
where:
Base-Base interactions energy: -140.213
where: short stacking energy: -67.314
Base-Backbone interact. energy: -0.523
local terms energy: -75.695468
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -226.692128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.692128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.692128 (E_RNA)
where:
Base-Base interactions energy: -158.967
where: short stacking energy: -71.829
Base-Backbone interact. energy: -0.001
local terms energy: -67.723368
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -211.341876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.341876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.341876 (E_RNA)
where:
Base-Base interactions energy: -146.804
where: short stacking energy: -59.753
Base-Backbone interact. energy: -0.017
local terms energy: -64.520555
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -187.186258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.186258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.186258 (E_RNA)
where:
Base-Base interactions energy: -127.082
where: short stacking energy: -67.365
Base-Backbone interact. energy: -0.002
local terms energy: -60.101901
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -182.050936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.050936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.050936 (E_RNA)
where:
Base-Base interactions energy: -118.753
where: short stacking energy: -54.023
Base-Backbone interact. energy: -0.016
local terms energy: -63.282593
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -86.327567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327567 (E_RNA)
where:
Base-Base interactions energy: -34.651
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.117
local terms energy: -51.559751
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -100.951766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.951766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.951766 (E_RNA)
where:
Base-Base interactions energy: -48.750
where: short stacking energy: -28.824
Base-Backbone interact. energy: -0.296
local terms energy: -51.905418
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -84.168837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.168837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.168837 (E_RNA)
where:
Base-Base interactions energy: -22.429
where: short stacking energy: -20.616
Base-Backbone interact. energy: -0.094
local terms energy: -61.646102
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -74.539389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.539389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.539389 (E_RNA)
where:
Base-Base interactions energy: -35.121
where: short stacking energy: -18.171
Base-Backbone interact. energy: -0.819
local terms energy: -38.599478
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -8.917
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -0.869
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: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -218.815488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.815488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.815488 (E_RNA)
where:
Base-Base interactions energy: -148.543
where: short stacking energy: -57.747
Base-Backbone interact. energy: -0.266
local terms energy: -70.007121
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -225.599118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.599118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.599118 (E_RNA)
where:
Base-Base interactions energy: -150.405
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.001
local terms energy: -75.193011
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -230.261159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.261159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.261159 (E_RNA)
where:
Base-Base interactions energy: -147.639
where: short stacking energy: -75.463
Base-Backbone interact. energy: 0.097
local terms energy: -82.718971
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -193.429983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.429983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.429983 (E_RNA)
where:
Base-Base interactions energy: -126.822
where: short stacking energy: -54.837
Base-Backbone interact. energy: -0.110
local terms energy: -66.498537
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -14.778
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: 330
Temperature: 1.100000
Total energy: -178.464579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.464579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.464579 (E_RNA)
where:
Base-Base interactions energy: -111.895
where: short stacking energy: -47.980
Base-Backbone interact. energy: -0.001
local terms energy: -66.568454
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -175.321376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.321376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.321376 (E_RNA)
where:
Base-Base interactions energy: -117.135
where: short stacking energy: -50.451
Base-Backbone interact. energy: 0.144
local terms energy: -58.330741
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -103.892384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.892384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.892384 (E_RNA)
where:
Base-Base interactions energy: -50.726
where: short stacking energy: -45.267
Base-Backbone interact. energy: -0.016
local terms energy: -53.149834
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -87.364893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.364893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.364893 (E_RNA)
where:
Base-Base interactions energy: -44.913
where: short stacking energy: -21.463
Base-Backbone interact. energy: -0.270
local terms energy: -42.181975
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -3.363
tors. eta vs tors. theta energy: -2.162
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: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -82.956621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.956621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.956621 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -30.835
Base-Backbone interact. energy: -0.103
local terms energy: -52.018520
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -81.700377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.700377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.700377 (E_RNA)
where:
Base-Base interactions energy: -26.049
where: short stacking energy: -26.049
Base-Backbone interact. energy: -0.097
local terms energy: -55.553720
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -216.467256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.467256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.467256 (E_RNA)
where:
Base-Base interactions energy: -141.564
where: short stacking energy: -61.854
Base-Backbone interact. energy: -0.237
local terms energy: -74.667105
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -231.966956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.966956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.966956 (E_RNA)
where:
Base-Base interactions energy: -153.313
where: short stacking energy: -77.352
Base-Backbone interact. energy: -0.021
local terms energy: -78.633435
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -11.506
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: 3, replica: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -227.267227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.267227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.267227 (E_RNA)
where:
Base-Base interactions energy: -150.133
where: short stacking energy: -77.868
Base-Backbone interact. energy: -0.001
local terms energy: -77.133888
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -199.505751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.505751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.505751 (E_RNA)
where:
Base-Base interactions energy: -128.830
where: short stacking energy: -64.932
Base-Backbone interact. energy: -0.177
local terms energy: -70.498524
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -182.909974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.909974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.909974 (E_RNA)
where:
Base-Base interactions energy: -123.208
where: short stacking energy: -49.368
Base-Backbone interact. energy: 0.011
local terms energy: -59.713538
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -176.567400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.567400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.567400 (E_RNA)
where:
Base-Base interactions energy: -119.157
where: short stacking energy: -53.332
Base-Backbone interact. energy: 0.018
local terms energy: -57.428618
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -8.955
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: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -103.664334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.664334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.664334 (E_RNA)
where:
Base-Base interactions energy: -43.059
where: short stacking energy: -42.692
Base-Backbone interact. energy: -0.141
local terms energy: -60.464135
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -8.521
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: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -87.496500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.496500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.496500 (E_RNA)
where:
Base-Base interactions energy: -39.550
where: short stacking energy: -39.550
Base-Backbone interact. energy: -0.022
local terms energy: -47.924481
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -4.058
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: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -116.765746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.765746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.765746 (E_RNA)
where:
Base-Base interactions energy: -65.449
where: short stacking energy: -33.739
Base-Backbone interact. energy: 1.205
local terms energy: -52.522147
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -9.082
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -73.534135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.534135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.534135 (E_RNA)
where:
Base-Base interactions energy: -26.511
where: short stacking energy: -25.569
Base-Backbone interact. energy: -0.102
local terms energy: -46.921762
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -0.978
tors. eta vs tors. theta energy: -3.265
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: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -235.959072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.959072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.959072 (E_RNA)
where:
Base-Base interactions energy: -154.362
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.003
local terms energy: -81.593908
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -13.036
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: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -218.051077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.051077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.051077 (E_RNA)
where:
Base-Base interactions energy: -146.444
where: short stacking energy: -64.227
Base-Backbone interact. energy: -0.295
local terms energy: -71.312266
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -225.474355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.474355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.474355 (E_RNA)
where:
Base-Base interactions energy: -145.608
where: short stacking energy: -61.513
Base-Backbone interact. energy: -1.386
local terms energy: -78.480640
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -198.873397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.873397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.873397 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -56.794
Base-Backbone interact. energy: -0.275
local terms energy: -62.062366
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -12.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -178.735494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.735494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.735494 (E_RNA)
where:
Base-Base interactions energy: -114.145
where: short stacking energy: -44.170
Base-Backbone interact. energy: 0.950
local terms energy: -65.540640
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -14.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -183.566833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.566833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.566833 (E_RNA)
where:
Base-Base interactions energy: -113.867
where: short stacking energy: -58.299
Base-Backbone interact. energy: -0.105
local terms energy: -69.594322
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -11.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -92.659897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.659897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.659897 (E_RNA)
where:
Base-Base interactions energy: -37.350
where: short stacking energy: -30.508
Base-Backbone interact. energy: -0.750
local terms energy: -54.559768
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -10.192
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: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -89.791369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.791369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.791369 (E_RNA)
where:
Base-Base interactions energy: -33.910
where: short stacking energy: -31.604
Base-Backbone interact. energy: -0.206
local terms energy: -55.675331
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -92.754685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.754685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.754685 (E_RNA)
where:
Base-Base interactions energy: -37.598
where: short stacking energy: -35.113
Base-Backbone interact. energy: -0.184
local terms energy: -54.972057
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -86.995635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.995635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.995635 (E_RNA)
where:
Base-Base interactions energy: -35.311
where: short stacking energy: -35.311
Base-Backbone interact. energy: -0.110
local terms energy: -51.574964
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -7.278
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: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -230.563103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.563103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.563103 (E_RNA)
where:
Base-Base interactions energy: -152.397
where: short stacking energy: -75.809
Base-Backbone interact. energy: 1.490
local terms energy: -79.655804
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -222.172678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.172678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.172678 (E_RNA)
where:
Base-Base interactions energy: -142.735
where: short stacking energy: -67.907
Base-Backbone interact. energy: 0.180
local terms energy: -79.617481
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -223.231132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.231132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.231132 (E_RNA)
where:
Base-Base interactions energy: -145.550
where: short stacking energy: -72.110
Base-Backbone interact. energy: -0.003
local terms energy: -77.678216
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -8.732
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: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -191.123493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.123493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.123493 (E_RNA)
where:
Base-Base interactions energy: -122.562
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.129
local terms energy: -68.432755
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -15.524
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: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -187.634740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.634740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.634740 (E_RNA)
where:
Base-Base interactions energy: -127.106
where: short stacking energy: -52.973
Base-Backbone interact. energy: -0.011
local terms energy: -60.518115
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -7.022
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: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -172.822102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.822102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.822102 (E_RNA)
where:
Base-Base interactions energy: -109.409
where: short stacking energy: -47.993
Base-Backbone interact. energy: -0.128
local terms energy: -63.285416
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -10.654
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: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -92.608237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.608237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.608237 (E_RNA)
where:
Base-Base interactions energy: -40.400
where: short stacking energy: -40.400
Base-Backbone interact. energy: -0.041
local terms energy: -52.166997
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -90.674581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.674581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.674581 (E_RNA)
where:
Base-Base interactions energy: -43.227
where: short stacking energy: -43.179
Base-Backbone interact. energy: -0.001
local terms energy: -47.446487
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -4.395
tors. eta vs tors. theta energy: -3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -87.590674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.590674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.590674 (E_RNA)
where:
Base-Base interactions energy: -40.784
where: short stacking energy: -27.523
Base-Backbone interact. energy: -0.353
local terms energy: -46.453831
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -2.126
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: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -92.617345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.617345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.617345 (E_RNA)
where:
Base-Base interactions energy: -54.211
where: short stacking energy: -22.361
Base-Backbone interact. energy: 2.542
local terms energy: -40.948556
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -0.920
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: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -239.147010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.147010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.147010 (E_RNA)
where:
Base-Base interactions energy: -152.878
where: short stacking energy: -71.114
Base-Backbone interact. energy: -0.001
local terms energy: -86.267652
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -13.028
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: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -220.584944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.584944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.584944 (E_RNA)
where:
Base-Base interactions energy: -141.526
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.792
local terms energy: -78.266933
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -196.117744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.117744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.117744 (E_RNA)
where:
Base-Base interactions energy: -121.108
where: short stacking energy: -57.497
Base-Backbone interact. energy: -0.001
local terms energy: -75.008257
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -7.482
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: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -206.629691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.629691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.629691 (E_RNA)
where:
Base-Base interactions energy: -134.007
where: short stacking energy: -65.017
Base-Backbone interact. energy: -0.125
local terms energy: -72.497838
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -16.448
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: 334
Temperature: 1.100000
Total energy: -182.873208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.873208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.873208 (E_RNA)
where:
Base-Base interactions energy: -113.438
where: short stacking energy: -53.674
Base-Backbone interact. energy: -0.132
local terms energy: -69.303428
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -176.048767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.048767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.048767 (E_RNA)
where:
Base-Base interactions energy: -111.242
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.110
local terms energy: -64.697324
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -100.718090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.718090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.718090 (E_RNA)
where:
Base-Base interactions energy: -50.876
where: short stacking energy: -39.351
Base-Backbone interact. energy: -0.123
local terms energy: -49.718839
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -92.437207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.437207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.437207 (E_RNA)
where:
Base-Base interactions energy: -40.760
where: short stacking energy: -38.645
Base-Backbone interact. energy: -0.059
local terms energy: -51.618224
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -5.018
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -91.687253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.687253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.687253 (E_RNA)
where:
Base-Base interactions energy: -47.872
where: short stacking energy: -32.845
Base-Backbone interact. energy: -0.408
local terms energy: -43.408133
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -78.868381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.868381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.868381 (E_RNA)
where:
Base-Base interactions energy: -24.140
where: short stacking energy: -19.118
Base-Backbone interact. energy: -0.212
local terms energy: -54.516423
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -5.625
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: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -237.284179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.284179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.284179 (E_RNA)
where:
Base-Base interactions energy: -161.287
where: short stacking energy: -78.864
Base-Backbone interact. energy: -0.007
local terms energy: -75.990441
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -212.818747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.818747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.818747 (E_RNA)
where:
Base-Base interactions energy: -137.862
where: short stacking energy: -65.281
Base-Backbone interact. energy: -0.157
local terms energy: -74.800549
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -191.214689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.214689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.214689 (E_RNA)
where:
Base-Base interactions energy: -115.384
where: short stacking energy: -53.590
Base-Backbone interact. energy: -0.559
local terms energy: -75.271694
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -19.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -200.161464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.161464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.161464 (E_RNA)
where:
Base-Base interactions energy: -122.540
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.001
local terms energy: -77.619817
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -12.553
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: 5, replica: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -187.496085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.496085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.496085 (E_RNA)
where:
Base-Base interactions energy: -132.443
where: short stacking energy: -46.556
Base-Backbone interact. energy: -0.852
local terms energy: -54.200763
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -178.517292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.517292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.517292 (E_RNA)
where:
Base-Base interactions energy: -122.803
where: short stacking energy: -61.080
Base-Backbone interact. energy: -0.097
local terms energy: -55.616987
where:
bonds (distance) C4'-P energy: -3.868
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -99.515920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.515920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.515920 (E_RNA)
where:
Base-Base interactions energy: -48.223
where: short stacking energy: -45.284
Base-Backbone interact. energy: -0.100
local terms energy: -51.192649
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -86.777749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.777749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.777749 (E_RNA)
where:
Base-Base interactions energy: -33.380
where: short stacking energy: -33.380
Base-Backbone interact. energy: -0.137
local terms energy: -53.260918
where:
bonds (distance) C4'-P energy: -6.753
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -9.609
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: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -72.069295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.069295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.069295 (E_RNA)
where:
Base-Base interactions energy: -28.791
where: short stacking energy: -28.107
Base-Backbone interact. energy: -0.110
local terms energy: -43.167869
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: 2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -98.757610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.757610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.757610 (E_RNA)
where:
Base-Base interactions energy: -55.279
where: short stacking energy: -29.391
Base-Backbone interact. energy: -0.271
local terms energy: -43.208284
where:
bonds (distance) C4'-P energy: -5.996
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -231.615376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.615376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.615376 (E_RNA)
where:
Base-Base interactions energy: -159.332
where: short stacking energy: -78.003
Base-Backbone interact. energy: -0.078
local terms energy: -72.205349
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -215.215919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.215919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.215919 (E_RNA)
where:
Base-Base interactions energy: -144.816
where: short stacking energy: -71.027
Base-Backbone interact. energy: 0.073
local terms energy: -70.473554
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -6.696
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: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -208.634518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.634518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.634518 (E_RNA)
where:
Base-Base interactions energy: -134.470
where: short stacking energy: -69.873
Base-Backbone interact. energy: -0.442
local terms energy: -73.722469
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -189.904835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.904835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.904835 (E_RNA)
where:
Base-Base interactions energy: -126.110
where: short stacking energy: -52.580
Base-Backbone interact. energy: -0.147
local terms energy: -63.647610
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -186.255555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.255555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.255555 (E_RNA)
where:
Base-Base interactions energy: -120.307
where: short stacking energy: -62.570
Base-Backbone interact. energy: -0.101
local terms energy: -65.846744
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -15.162
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: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -173.181168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.181168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.181168 (E_RNA)
where:
Base-Base interactions energy: -105.426
where: short stacking energy: -51.320
Base-Backbone interact. energy: -0.243
local terms energy: -67.512846
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -10.467
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: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -95.543360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.543360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.543360 (E_RNA)
where:
Base-Base interactions energy: -40.020
where: short stacking energy: -40.020
Base-Backbone interact. energy: -0.021
local terms energy: -55.502101
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -82.761767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.761767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.761767 (E_RNA)
where:
Base-Base interactions energy: -34.367
where: short stacking energy: -34.467
Base-Backbone interact. energy: -0.036
local terms energy: -48.358341
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -11.446
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: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -98.461762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.461762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.461762 (E_RNA)
where:
Base-Base interactions energy: -40.243
where: short stacking energy: -39.891
Base-Backbone interact. energy: -0.155
local terms energy: -58.064282
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -87.658964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.658964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.658964 (E_RNA)
where:
Base-Base interactions energy: -37.087
where: short stacking energy: -23.464
Base-Backbone interact. energy: -0.484
local terms energy: -50.088270
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -240.634189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.634189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.634189 (E_RNA)
where:
Base-Base interactions energy: -158.273
where: short stacking energy: -78.609
Base-Backbone interact. energy: -0.156
local terms energy: -82.204797
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -18.281
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: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -212.631251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.631251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.631251 (E_RNA)
where:
Base-Base interactions energy: -152.399
where: short stacking energy: -66.486
Base-Backbone interact. energy: 0.329
local terms energy: -60.561851
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -212.905596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.905596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.905596 (E_RNA)
where:
Base-Base interactions energy: -136.151
where: short stacking energy: -64.675
Base-Backbone interact. energy: 0.471
local terms energy: -77.225986
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -14.077
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: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -187.266569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.266569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.266569 (E_RNA)
where:
Base-Base interactions energy: -117.601
where: short stacking energy: -57.930
Base-Backbone interact. energy: -0.012
local terms energy: -69.654240
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -184.220051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.220051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.220051 (E_RNA)
where:
Base-Base interactions energy: -122.894
where: short stacking energy: -62.579
Base-Backbone interact. energy: -0.035
local terms energy: -61.290524
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: 0.685
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -178.699642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.699642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.699642 (E_RNA)
where:
Base-Base interactions energy: -111.574
where: short stacking energy: -50.414
Base-Backbone interact. energy: 0.639
local terms energy: -67.765363
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -10.010
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: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -90.325768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.325768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.325768 (E_RNA)
where:
Base-Base interactions energy: -31.262
where: short stacking energy: -30.131
Base-Backbone interact. energy: -0.676
local terms energy: -58.387864
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -93.862874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.862874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.862874 (E_RNA)
where:
Base-Base interactions energy: -41.140
where: short stacking energy: -28.578
Base-Backbone interact. energy: 0.123
local terms energy: -52.845270
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -10.199
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: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -88.822449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.822449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.822449 (E_RNA)
where:
Base-Base interactions energy: -43.473
where: short stacking energy: -42.538
Base-Backbone interact. energy: 0.327
local terms energy: -45.677144
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -79.827691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.827691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.827691 (E_RNA)
where:
Base-Base interactions energy: -28.251
where: short stacking energy: -21.127
Base-Backbone interact. energy: -0.124
local terms energy: -51.453061
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -230.807207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.807207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.807207 (E_RNA)
where:
Base-Base interactions energy: -154.268
where: short stacking energy: -69.127
Base-Backbone interact. energy: -0.027
local terms energy: -76.512083
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -20.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -207.151362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.151362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.151362 (E_RNA)
where:
Base-Base interactions energy: -131.382
where: short stacking energy: -56.905
Base-Backbone interact. energy: -0.445
local terms energy: -75.323670
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -212.474814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.474814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.474814 (E_RNA)
where:
Base-Base interactions energy: -139.552
where: short stacking energy: -61.248
Base-Backbone interact. energy: -0.137
local terms energy: -72.785286
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -185.100488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.100488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.100488 (E_RNA)
where:
Base-Base interactions energy: -117.842
where: short stacking energy: -55.253
Base-Backbone interact. energy: -0.457
local terms energy: -66.802332
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -179.968793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.968793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.968793 (E_RNA)
where:
Base-Base interactions energy: -119.903
where: short stacking energy: -55.953
Base-Backbone interact. energy: -0.094
local terms energy: -59.971372
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -5.857
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -162.300411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.300411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.300411 (E_RNA)
where:
Base-Base interactions energy: -103.627
where: short stacking energy: -35.017
Base-Backbone interact. energy: -0.220
local terms energy: -58.453356
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -5.292
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: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -80.139480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.139480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.139480 (E_RNA)
where:
Base-Base interactions energy: -38.115
where: short stacking energy: -26.829
Base-Backbone interact. energy: -0.048
local terms energy: -41.976651
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -92.492625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.492625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.492625 (E_RNA)
where:
Base-Base interactions energy: -46.611
where: short stacking energy: -24.405
Base-Backbone interact. energy: -0.142
local terms energy: -45.740006
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -78.785597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.785597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.785597 (E_RNA)
where:
Base-Base interactions energy: -29.423
where: short stacking energy: -26.315
Base-Backbone interact. energy: -0.245
local terms energy: -49.117633
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -80.401493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.401493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.401493 (E_RNA)
where:
Base-Base interactions energy: -20.467
where: short stacking energy: -20.467
Base-Backbone interact. energy: 0.136
local terms energy: -60.070402
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -233.469487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.469487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.469487 (E_RNA)
where:
Base-Base interactions energy: -153.982
where: short stacking energy: -66.335
Base-Backbone interact. energy: 0.786
local terms energy: -80.273438
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -216.252076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.252076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.252076 (E_RNA)
where:
Base-Base interactions energy: -142.670
where: short stacking energy: -70.604
Base-Backbone interact. energy: -0.052
local terms energy: -73.529593
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -12.508
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: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -208.724600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.724600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.724600 (E_RNA)
where:
Base-Base interactions energy: -149.460
where: short stacking energy: -50.799
Base-Backbone interact. energy: -0.194
local terms energy: -59.070385
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -191.260832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.260832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.260832 (E_RNA)
where:
Base-Base interactions energy: -115.976
where: short stacking energy: -52.612
Base-Backbone interact. energy: -0.126
local terms energy: -75.158621
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.586
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: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -187.476078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.476078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.476078 (E_RNA)
where:
Base-Base interactions energy: -121.800
where: short stacking energy: -55.569
Base-Backbone interact. energy: -1.431
local terms energy: -64.245607
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -14.520
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: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -109.679480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.679480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.679480 (E_RNA)
where:
Base-Base interactions energy: -59.814
where: short stacking energy: -36.483
Base-Backbone interact. energy: -0.197
local terms energy: -49.667713
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -7.526
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -159.470847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.470847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.470847 (E_RNA)
where:
Base-Base interactions energy: -93.906
where: short stacking energy: -42.939
Base-Backbone interact. energy: -0.210
local terms energy: -65.354815
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -11.375
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: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -96.041991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.041991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.041991 (E_RNA)
where:
Base-Base interactions energy: -40.213
where: short stacking energy: -35.087
Base-Backbone interact. energy: -0.123
local terms energy: -55.706739
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -79.706796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.706796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.706796 (E_RNA)
where:
Base-Base interactions energy: -30.786
where: short stacking energy: -29.951
Base-Backbone interact. energy: 0.397
local terms energy: -49.317803
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -84.754431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.754431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.754431 (E_RNA)
where:
Base-Base interactions energy: -28.495
where: short stacking energy: -29.395
Base-Backbone interact. energy: -0.135
local terms energy: -56.124539
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: 0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -230.454229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.454229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.454229 (E_RNA)
where:
Base-Base interactions energy: -151.308
where: short stacking energy: -71.066
Base-Backbone interact. energy: -0.008
local terms energy: -79.137432
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -223.268968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.268968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.268968 (E_RNA)
where:
Base-Base interactions energy: -144.000
where: short stacking energy: -69.914
Base-Backbone interact. energy: 0.813
local terms energy: -80.082718
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -21.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -221.004543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.004543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.004543 (E_RNA)
where:
Base-Base interactions energy: -150.172
where: short stacking energy: -62.672
Base-Backbone interact. energy: 2.243
local terms energy: -73.075992
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -192.225860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.225860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.225860 (E_RNA)
where:
Base-Base interactions energy: -119.068
where: short stacking energy: -58.573
Base-Backbone interact. energy: -0.002
local terms energy: -73.155733
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -173.693933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.693933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.693933 (E_RNA)
where:
Base-Base interactions energy: -114.319
where: short stacking energy: -52.603
Base-Backbone interact. energy: -0.184
local terms energy: -59.190893
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -124.379441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.379441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.379441 (E_RNA)
where:
Base-Base interactions energy: -74.922
where: short stacking energy: -42.625
Base-Backbone interact. energy: -0.223
local terms energy: -49.234914
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -162.120303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.120303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.120303 (E_RNA)
where:
Base-Base interactions energy: -104.356
where: short stacking energy: -48.085
Base-Backbone interact. energy: -1.032
local terms energy: -56.732771
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -9.020
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: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -86.012776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.012776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.012776 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -20.465
Base-Backbone interact. energy: -0.044
local terms energy: -49.358821
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -95.041503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.041503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.041503 (E_RNA)
where:
Base-Base interactions energy: -40.491
where: short stacking energy: -32.719
Base-Backbone interact. energy: -0.343
local terms energy: -54.207442
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -76.762865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.762865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.762865 (E_RNA)
where:
Base-Base interactions energy: -33.855
where: short stacking energy: -33.150
Base-Backbone interact. energy: 4.250
local terms energy: -47.157934
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -4.779
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -229.164827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.164827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.164827 (E_RNA)
where:
Base-Base interactions energy: -149.993
where: short stacking energy: -69.849
Base-Backbone interact. energy: -0.000
local terms energy: -79.171839
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -20.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -223.733371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.733371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.733371 (E_RNA)
where:
Base-Base interactions energy: -154.825
where: short stacking energy: -64.480
Base-Backbone interact. energy: -0.130
local terms energy: -68.779210
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -14.117
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: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -224.444121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.444121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.444121 (E_RNA)
where:
Base-Base interactions energy: -153.238
where: short stacking energy: -73.273
Base-Backbone interact. energy: -0.012
local terms energy: -71.194814
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -10.042
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: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -181.136618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.136618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.136618 (E_RNA)
where:
Base-Base interactions energy: -121.106
where: short stacking energy: -43.935
Base-Backbone interact. energy: 1.584
local terms energy: -61.615181
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -7.840
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: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -185.187990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.187990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.187990 (E_RNA)
where:
Base-Base interactions energy: -115.213
where: short stacking energy: -65.263
Base-Backbone interact. energy: -0.802
local terms energy: -69.173753
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -170.898622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.898622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.898622 (E_RNA)
where:
Base-Base interactions energy: -109.492
where: short stacking energy: -47.621
Base-Backbone interact. energy: 0.803
local terms energy: -62.209299
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -116.445242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.445242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.445242 (E_RNA)
where:
Base-Base interactions energy: -63.630
where: short stacking energy: -33.488
Base-Backbone interact. energy: -0.118
local terms energy: -52.697179
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -91.977200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.977200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.977200 (E_RNA)
where:
Base-Base interactions energy: -36.912
where: short stacking energy: -36.912
Base-Backbone interact. energy: 0.957
local terms energy: -56.022366
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -3.119
tors. eta vs tors. theta energy: -8.830
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: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -75.357018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.357018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.357018 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -20.826
Base-Backbone interact. energy: -0.232
local terms energy: -42.875225
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -8.695
flat angles P-C4'-P energy: -10.983
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: 341
Temperature: 1.350000
Total energy: -69.317400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.317400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.317400 (E_RNA)
where:
Base-Base interactions energy: -21.161
where: short stacking energy: -20.797
Base-Backbone interact. energy: 0.590
local terms energy: -48.746364
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -4.422
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: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -229.201914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.201914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.201914 (E_RNA)
where:
Base-Base interactions energy: -153.922
where: short stacking energy: -71.759
Base-Backbone interact. energy: -0.003
local terms energy: -75.277171
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -21.133
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: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -221.227293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.227293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.227293 (E_RNA)
where:
Base-Base interactions energy: -151.200
where: short stacking energy: -66.139
Base-Backbone interact. energy: -0.220
local terms energy: -69.806419
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -224.396096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.396096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.396096 (E_RNA)
where:
Base-Base interactions energy: -147.949
where: short stacking energy: -73.545
Base-Backbone interact. energy: -0.905
local terms energy: -75.541536
where:
bonds (distance) C4'-P energy: -7.378
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -186.605666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.605666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.605666 (E_RNA)
where:
Base-Base interactions energy: -121.857
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.035
local terms energy: -64.714293
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -181.111066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.111066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.111066 (E_RNA)
where:
Base-Base interactions energy: -117.599
where: short stacking energy: -50.410
Base-Backbone interact. energy: -0.004
local terms energy: -63.507685
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -173.612402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.612402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.612402 (E_RNA)
where:
Base-Base interactions energy: -110.995
where: short stacking energy: -55.364
Base-Backbone interact. energy: -0.004
local terms energy: -62.613660
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -8.154
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: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -91.892262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.892262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.892262 (E_RNA)
where:
Base-Base interactions energy: -30.826
where: short stacking energy: -29.717
Base-Backbone interact. energy: -0.642
local terms energy: -60.424274
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -123.926452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.926452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.926452 (E_RNA)
where:
Base-Base interactions energy: -67.568
where: short stacking energy: -40.302
Base-Backbone interact. energy: -0.922
local terms energy: -55.436640
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -91.700948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.700948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.700948 (E_RNA)
where:
Base-Base interactions energy: -38.781
where: short stacking energy: -38.781
Base-Backbone interact. energy: -0.293
local terms energy: -52.626464
where:
bonds (distance) C4'-P energy: -8.008
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -75.026398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.026398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.026398 (E_RNA)
where:
Base-Base interactions energy: -27.336
where: short stacking energy: -22.941
Base-Backbone interact. energy: -1.389
local terms energy: -46.301019
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: 1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -231.677702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.677702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.677702 (E_RNA)
where:
Base-Base interactions energy: -154.428
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.006
local terms energy: -77.243986
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -226.397676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.397676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.397676 (E_RNA)
where:
Base-Base interactions energy: -148.955
where: short stacking energy: -64.083
Base-Backbone interact. energy: -0.018
local terms energy: -77.424782
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -215.528439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.528439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.528439 (E_RNA)
where:
Base-Base interactions energy: -142.307
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.352
local terms energy: -72.869418
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -14.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -194.525670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.525670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.525670 (E_RNA)
where:
Base-Base interactions energy: -118.736
where: short stacking energy: -59.090
Base-Backbone interact. energy: -0.014
local terms energy: -75.775996
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -19.370
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: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -188.912449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.912449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.912449 (E_RNA)
where:
Base-Base interactions energy: -129.531
where: short stacking energy: -52.382
Base-Backbone interact. energy: -0.320
local terms energy: -59.061740
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -182.439287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.439287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.439287 (E_RNA)
where:
Base-Base interactions energy: -120.567
where: short stacking energy: -57.332
Base-Backbone interact. energy: -0.054
local terms energy: -61.818303
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -2.579
tors. eta vs tors. theta energy: -16.367
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: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -91.853732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.853732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.853732 (E_RNA)
where:
Base-Base interactions energy: -41.472
where: short stacking energy: -33.746
Base-Backbone interact. energy: -0.077
local terms energy: -50.304058
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -97.280155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.280155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.280155 (E_RNA)
where:
Base-Base interactions energy: -42.055
where: short stacking energy: -42.055
Base-Backbone interact. energy: -0.202
local terms energy: -55.023121
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -120.029798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.029798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.029798 (E_RNA)
where:
Base-Base interactions energy: -63.871
where: short stacking energy: -37.119
Base-Backbone interact. energy: -0.097
local terms energy: -56.061194
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -76.840428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.840428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.840428 (E_RNA)
where:
Base-Base interactions energy: -29.940
where: short stacking energy: -23.317
Base-Backbone interact. energy: -0.802
local terms energy: -46.098477
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -1.206
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: 344
Temperature: 0.900000
Total energy: -223.259620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.259620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.259620 (E_RNA)
where:
Base-Base interactions energy: -144.256
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.018
local terms energy: -78.986134
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -19.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -221.413344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.413344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.413344 (E_RNA)
where:
Base-Base interactions energy: -145.685
where: short stacking energy: -71.400
Base-Backbone interact. energy: -0.078
local terms energy: -75.649820
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -198.973082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.973082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.973082 (E_RNA)
where:
Base-Base interactions energy: -125.455
where: short stacking energy: -62.044
Base-Backbone interact. energy: 0.007
local terms energy: -73.525153
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -11.982
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: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -214.393437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.393437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.393437 (E_RNA)
where:
Base-Base interactions energy: -151.249
where: short stacking energy: -63.772
Base-Backbone interact. energy: -0.307
local terms energy: -62.837995
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -175.579176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.579176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.579176 (E_RNA)
where:
Base-Base interactions energy: -114.584
where: short stacking energy: -43.819
Base-Backbone interact. energy: -0.312
local terms energy: -60.682895
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -176.227982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.227982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.227982 (E_RNA)
where:
Base-Base interactions energy: -113.062
where: short stacking energy: -51.451
Base-Backbone interact. energy: -0.202
local terms energy: -62.963997
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -98.039609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.039609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.039609 (E_RNA)
where:
Base-Base interactions energy: -51.807
where: short stacking energy: -32.286
Base-Backbone interact. energy: 0.779
local terms energy: -47.011642
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -8.126
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -1.647
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: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -107.729275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.729275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.729275 (E_RNA)
where:
Base-Base interactions energy: -56.336
where: short stacking energy: -35.339
Base-Backbone interact. energy: -0.063
local terms energy: -51.330292
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -127.004667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.004667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.004667 (E_RNA)
where:
Base-Base interactions energy: -69.231
where: short stacking energy: -30.865
Base-Backbone interact. energy: -0.820
local terms energy: -56.953618
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -85.368737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.368737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.368737 (E_RNA)
where:
Base-Base interactions energy: -44.247
where: short stacking energy: -19.678
Base-Backbone interact. energy: 0.151
local terms energy: -41.272968
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -223.829292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.829292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.829292 (E_RNA)
where:
Base-Base interactions energy: -145.361
where: short stacking energy: -68.715
Base-Backbone interact. energy: -0.027
local terms energy: -78.441086
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -232.435662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.435662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.435662 (E_RNA)
where:
Base-Base interactions energy: -156.051
where: short stacking energy: -76.952
Base-Backbone interact. energy: 0.337
local terms energy: -76.721785
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -202.862442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.862442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.862442 (E_RNA)
where:
Base-Base interactions energy: -129.629
where: short stacking energy: -58.725
Base-Backbone interact. energy: -0.028
local terms energy: -73.205362
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -13.376
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: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -207.448713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.448713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.448713 (E_RNA)
where:
Base-Base interactions energy: -142.900
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.290
local terms energy: -64.258847
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -186.841354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.841354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.841354 (E_RNA)
where:
Base-Base interactions energy: -126.401
where: short stacking energy: -56.909
Base-Backbone interact. energy: -0.022
local terms energy: -60.418389
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -174.335841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.335841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.335841 (E_RNA)
where:
Base-Base interactions energy: -115.193
where: short stacking energy: -44.104
Base-Backbone interact. energy: -0.031
local terms energy: -59.112034
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -97.875262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.875262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.875262 (E_RNA)
where:
Base-Base interactions energy: -41.431
where: short stacking energy: -37.894
Base-Backbone interact. energy: -0.199
local terms energy: -56.245963
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -10.089
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -9.075
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: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -135.696359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.696359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.696359 (E_RNA)
where:
Base-Base interactions energy: -82.249
where: short stacking energy: -43.489
Base-Backbone interact. energy: -0.203
local terms energy: -53.244379
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -85.583964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.583964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.583964 (E_RNA)
where:
Base-Base interactions energy: -29.896
where: short stacking energy: -20.255
Base-Backbone interact. energy: -0.827
local terms energy: -54.860940
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -3.639
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: 345
Temperature: 1.350000
Total energy: -84.427966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.427966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.427966 (E_RNA)
where:
Base-Base interactions energy: -30.962
where: short stacking energy: -30.962
Base-Backbone interact. energy: -0.008
local terms energy: -53.458159
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -239.897641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.897641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.897641 (E_RNA)
where:
Base-Base interactions energy: -159.166
where: short stacking energy: -76.371
Base-Backbone interact. energy: -0.009
local terms energy: -80.722609
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -12.178
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: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -225.936200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.936200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.936200 (E_RNA)
where:
Base-Base interactions energy: -147.564
where: short stacking energy: -66.432
Base-Backbone interact. energy: -0.002
local terms energy: -78.369987
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -214.585769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.585769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.585769 (E_RNA)
where:
Base-Base interactions energy: -142.804
where: short stacking energy: -66.725
Base-Backbone interact. energy: -0.396
local terms energy: -71.385700
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -195.633980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.633980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.633980 (E_RNA)
where:
Base-Base interactions energy: -131.280
where: short stacking energy: -63.226
Base-Backbone interact. energy: -0.586
local terms energy: -63.767580
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -178.794259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.794259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.794259 (E_RNA)
where:
Base-Base interactions energy: -114.268
where: short stacking energy: -53.009
Base-Backbone interact. energy: -0.021
local terms energy: -64.504952
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -16.224
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: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -186.307512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.307512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.307512 (E_RNA)
where:
Base-Base interactions energy: -115.879
where: short stacking energy: -54.824
Base-Backbone interact. energy: -0.104
local terms energy: -70.323959
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -132.765711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.765711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.765711 (E_RNA)
where:
Base-Base interactions energy: -77.289
where: short stacking energy: -48.139
Base-Backbone interact. energy: -0.183
local terms energy: -55.293186
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -82.814537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.814537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.814537 (E_RNA)
where:
Base-Base interactions energy: -32.007
where: short stacking energy: -25.746
Base-Backbone interact. energy: -0.795
local terms energy: -50.012326
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -0.494
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: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -80.554686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.554686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.554686 (E_RNA)
where:
Base-Base interactions energy: -24.939
where: short stacking energy: -20.030
Base-Backbone interact. energy: -0.286
local terms energy: -55.328875
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -81.921223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.921223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.921223 (E_RNA)
where:
Base-Base interactions energy: -38.956
where: short stacking energy: -35.488
Base-Backbone interact. energy: -1.407
local terms energy: -41.557476
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -6.818
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -231.540150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.540150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.540150 (E_RNA)
where:
Base-Base interactions energy: -157.205
where: short stacking energy: -76.607
Base-Backbone interact. energy: -0.170
local terms energy: -74.165743
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -18.320
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: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -209.287701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.287701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.287701 (E_RNA)
where:
Base-Base interactions energy: -136.775
where: short stacking energy: -59.147
Base-Backbone interact. energy: -0.166
local terms energy: -72.346207
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -9.416
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: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -224.356268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.356268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.356268 (E_RNA)
where:
Base-Base interactions energy: -146.976
where: short stacking energy: -65.922
Base-Backbone interact. energy: -0.001
local terms energy: -77.379146
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -11.905
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: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -188.124189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.124189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.124189 (E_RNA)
where:
Base-Base interactions energy: -120.884
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.108
local terms energy: -67.132346
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -189.958890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.958890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.958890 (E_RNA)
where:
Base-Base interactions energy: -118.345
where: short stacking energy: -61.764
Base-Backbone interact. energy: -0.603
local terms energy: -71.010326
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -15.931
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: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -175.694312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.694312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.694312 (E_RNA)
where:
Base-Base interactions energy: -120.938
where: short stacking energy: -51.163
Base-Backbone interact. energy: -0.348
local terms energy: -54.408408
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -9.232
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -11.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -141.555641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.555641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.555641 (E_RNA)
where:
Base-Base interactions energy: -86.992
where: short stacking energy: -46.587
Base-Backbone interact. energy: -0.108
local terms energy: -54.456468
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -90.745509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.745509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.745509 (E_RNA)
where:
Base-Base interactions energy: -39.918
where: short stacking energy: -36.731
Base-Backbone interact. energy: -0.380
local terms energy: -50.447983
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -95.059470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.059470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.059470 (E_RNA)
where:
Base-Base interactions energy: -37.366
where: short stacking energy: -26.064
Base-Backbone interact. energy: -0.154
local terms energy: -57.539547
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -76.417337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.417337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.417337 (E_RNA)
where:
Base-Base interactions energy: -26.678
where: short stacking energy: -25.818
Base-Backbone interact. energy: -0.159
local terms energy: -49.580346
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -228.802571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.802571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.802571 (E_RNA)
where:
Base-Base interactions energy: -163.732
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.843
local terms energy: -64.228097
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -10.207
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: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -222.916703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.916703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.916703 (E_RNA)
where:
Base-Base interactions energy: -142.422
where: short stacking energy: -67.149
Base-Backbone interact. energy: -0.014
local terms energy: -80.480430
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -22.060
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: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -214.912323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.912323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.912323 (E_RNA)
where:
Base-Base interactions energy: -144.034
where: short stacking energy: -66.246
Base-Backbone interact. energy: -0.023
local terms energy: -70.855182
where:
bonds (distance) C4'-P energy: -7.991
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -10.039
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: 348
Temperature: 1.050000
Total energy: -202.153305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.153305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.153305 (E_RNA)
where:
Base-Base interactions energy: -128.805
where: short stacking energy: -62.334
Base-Backbone interact. energy: -0.169
local terms energy: -73.178886
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -192.109128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.109128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.109128 (E_RNA)
where:
Base-Base interactions energy: -129.743
where: short stacking energy: -58.597
Base-Backbone interact. energy: -0.051
local terms energy: -62.315651
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -182.422477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.422477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.422477 (E_RNA)
where:
Base-Base interactions energy: -115.587
where: short stacking energy: -52.823
Base-Backbone interact. energy: 1.674
local terms energy: -68.510145
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -135.774180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.774180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.774180 (E_RNA)
where:
Base-Base interactions energy: -76.173
where: short stacking energy: -35.590
Base-Backbone interact. energy: -0.402
local terms energy: -59.198677
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -95.483704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.483704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.483704 (E_RNA)
where:
Base-Base interactions energy: -43.662
where: short stacking energy: -26.394
Base-Backbone interact. energy: -0.973
local terms energy: -50.848379
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -85.171420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.171420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.171420 (E_RNA)
where:
Base-Base interactions energy: -36.313
where: short stacking energy: -35.338
Base-Backbone interact. energy: -0.146
local terms energy: -48.713213
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -85.389572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.389572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.389572 (E_RNA)
where:
Base-Base interactions energy: -36.927
where: short stacking energy: -28.982
Base-Backbone interact. energy: -0.086
local terms energy: -48.377325
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -231.253138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.253138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.253138 (E_RNA)
where:
Base-Base interactions energy: -169.857
where: short stacking energy: -67.195
Base-Backbone interact. energy: -0.291
local terms energy: -61.104942
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -14.751
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: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -229.193445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.193445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.193445 (E_RNA)
where:
Base-Base interactions energy: -156.549
where: short stacking energy: -76.788
Base-Backbone interact. energy: -0.148
local terms energy: -72.496260
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -211.635752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.635752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.635752 (E_RNA)
where:
Base-Base interactions energy: -136.211
where: short stacking energy: -68.670
Base-Backbone interact. energy: -0.376
local terms energy: -75.049463
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -183.731796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.731796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.731796 (E_RNA)
where:
Base-Base interactions energy: -123.211
where: short stacking energy: -50.563
Base-Backbone interact. energy: -0.065
local terms energy: -60.456582
where:
bonds (distance) C4'-P energy: -9.149
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -9.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -188.296700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.296700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.296700 (E_RNA)
where:
Base-Base interactions energy: -118.617
where: short stacking energy: -51.145
Base-Backbone interact. energy: -0.059
local terms energy: -69.620534
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -13.987
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: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -179.167273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.167273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.167273 (E_RNA)
where:
Base-Base interactions energy: -113.575
where: short stacking energy: -53.551
Base-Backbone interact. energy: -0.195
local terms energy: -65.397661
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -8.962
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: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -141.492306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.492306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.492306 (E_RNA)
where:
Base-Base interactions energy: -83.662
where: short stacking energy: -49.954
Base-Backbone interact. energy: -0.060
local terms energy: -57.770770
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -94.871426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.871426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.871426 (E_RNA)
where:
Base-Base interactions energy: -38.526
where: short stacking energy: -31.300
Base-Backbone interact. energy: -1.307
local terms energy: -55.038642
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -79.091753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.091753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.091753 (E_RNA)
where:
Base-Base interactions energy: -28.516
where: short stacking energy: -28.516
Base-Backbone interact. energy: -0.103
local terms energy: -50.473403
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -85.134238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.134238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.134238 (E_RNA)
where:
Base-Base interactions energy: -34.297
where: short stacking energy: -30.293
Base-Backbone interact. energy: -0.013
local terms energy: -50.824570
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -233.376901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.376901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.376901 (E_RNA)
where:
Base-Base interactions energy: -162.393
where: short stacking energy: -72.679
Base-Backbone interact. energy: -0.256
local terms energy: -70.728146
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -213.309977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.309977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.309977 (E_RNA)
where:
Base-Base interactions energy: -150.174
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.029
local terms energy: -63.107599
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -4.827
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: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -218.181720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.181720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.181720 (E_RNA)
where:
Base-Base interactions energy: -148.454
where: short stacking energy: -66.241
Base-Backbone interact. energy: -0.004
local terms energy: -69.724584
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -186.057850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.057850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.057850 (E_RNA)
where:
Base-Base interactions energy: -122.111
where: short stacking energy: -59.558
Base-Backbone interact. energy: -0.036
local terms energy: -63.911247
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -7.551
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: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -187.741171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.741171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.741171 (E_RNA)
where:
Base-Base interactions energy: -120.942
where: short stacking energy: -67.649
Base-Backbone interact. energy: -0.063
local terms energy: -66.736880
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -12.113
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: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -185.389912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.389912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.389912 (E_RNA)
where:
Base-Base interactions energy: -118.695
where: short stacking energy: -59.385
Base-Backbone interact. energy: -0.114
local terms energy: -66.580482
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -105.195878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.195878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.195878 (E_RNA)
where:
Base-Base interactions energy: -50.445
where: short stacking energy: -30.218
Base-Backbone interact. energy: -0.473
local terms energy: -54.277315
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -11.396
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: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -133.131219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.131219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.131219 (E_RNA)
where:
Base-Base interactions energy: -76.107
where: short stacking energy: -36.738
Base-Backbone interact. energy: -0.043
local terms energy: -56.980704
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -3.746
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: 350
Temperature: 1.300000
Total energy: -90.158372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.158372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.158372 (E_RNA)
where:
Base-Base interactions energy: -39.262
where: short stacking energy: -37.146
Base-Backbone interact. energy: -0.166
local terms energy: -50.730268
where:
bonds (distance) C4'-P energy: -6.568
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -71.263852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.263852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.263852 (E_RNA)
where:
Base-Base interactions energy: -30.850
where: short stacking energy: -22.968
Base-Backbone interact. energy: -0.023
local terms energy: -40.390343
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -1.907
tors. eta vs tors. theta energy: 3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -232.419433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.419433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.419433 (E_RNA)
where:
Base-Base interactions energy: -160.410
where: short stacking energy: -68.726
Base-Backbone interact. energy: -0.281
local terms energy: -71.728475
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -15.790
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: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -230.423552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.423552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.423552 (E_RNA)
where:
Base-Base interactions energy: -152.130
where: short stacking energy: -77.371
Base-Backbone interact. energy: -0.061
local terms energy: -78.232355
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -206.019066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.019066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.019066 (E_RNA)
where:
Base-Base interactions energy: -134.633
where: short stacking energy: -61.046
Base-Backbone interact. energy: -0.188
local terms energy: -71.197664
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -184.561734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.561734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.561734 (E_RNA)
where:
Base-Base interactions energy: -120.783
where: short stacking energy: -50.531
Base-Backbone interact. energy: -0.156
local terms energy: -63.622789
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -11.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -184.537580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.537580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.537580 (E_RNA)
where:
Base-Base interactions energy: -118.650
where: short stacking energy: -51.456
Base-Backbone interact. energy: 0.651
local terms energy: -66.539503
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -13.229
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: 351
Temperature: 1.150000
Total energy: -184.609157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.609157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.609157 (E_RNA)
where:
Base-Base interactions energy: -122.036
where: short stacking energy: -55.157
Base-Backbone interact. energy: -0.076
local terms energy: -62.496741
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -13.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -91.657513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.657513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.657513 (E_RNA)
where:
Base-Base interactions energy: -38.397
where: short stacking energy: -35.110
Base-Backbone interact. energy: -0.061
local terms energy: -53.199944
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -6.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -127.219121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.219121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.219121 (E_RNA)
where:
Base-Base interactions energy: -69.205
where: short stacking energy: -40.748
Base-Backbone interact. energy: -0.177
local terms energy: -57.837921
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -99.960952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.960952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.960952 (E_RNA)
where:
Base-Base interactions energy: -37.763
where: short stacking energy: -37.702
Base-Backbone interact. energy: -0.053
local terms energy: -62.145416
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -11.103
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: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -86.238911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.238911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.238911 (E_RNA)
where:
Base-Base interactions energy: -31.580
where: short stacking energy: -27.774
Base-Backbone interact. energy: -0.949
local terms energy: -53.709949
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -228.929208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.929208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.929208 (E_RNA)
where:
Base-Base interactions energy: -154.723
where: short stacking energy: -63.591
Base-Backbone interact. energy: -0.637
local terms energy: -73.568754
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -14.844
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: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -231.468622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.468622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.468622 (E_RNA)
where:
Base-Base interactions energy: -155.714
where: short stacking energy: -76.199
Base-Backbone interact. energy: -0.002
local terms energy: -75.753361
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -208.381677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.381677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.381677 (E_RNA)
where:
Base-Base interactions energy: -140.713
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.079
local terms energy: -67.590153
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -193.389395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.389395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.389395 (E_RNA)
where:
Base-Base interactions energy: -127.055
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.523
local terms energy: -65.811497
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -15.165
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: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -178.377021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.377021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.377021 (E_RNA)
where:
Base-Base interactions energy: -116.660
where: short stacking energy: -53.148
Base-Backbone interact. energy: -0.120
local terms energy: -61.596654
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -8.780
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -183.334016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.334016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.334016 (E_RNA)
where:
Base-Base interactions energy: -112.585
where: short stacking energy: -52.106
Base-Backbone interact. energy: -0.005
local terms energy: -70.744276
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -142.946080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.946080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.946080 (E_RNA)
where:
Base-Base interactions energy: -84.213
where: short stacking energy: -40.052
Base-Backbone interact. energy: -0.923
local terms energy: -57.810556
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -6.847
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: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -83.244250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.244250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.244250 (E_RNA)
where:
Base-Base interactions energy: -38.774
where: short stacking energy: -30.504
Base-Backbone interact. energy: -0.019
local terms energy: -44.450738
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -87.289221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.289221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.289221 (E_RNA)
where:
Base-Base interactions energy: -44.923
where: short stacking energy: -31.651
Base-Backbone interact. energy: -0.202
local terms energy: -42.163587
where:
bonds (distance) C4'-P energy: -8.055
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -8.232
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: 352
Temperature: 1.350000
Total energy: -86.345668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.345668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.345668 (E_RNA)
where:
Base-Base interactions energy: -40.953
where: short stacking energy: -21.221
Base-Backbone interact. energy: -0.141
local terms energy: -45.251187
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -3.267
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -228.744953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.744953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.744953 (E_RNA)
where:
Base-Base interactions energy: -156.675
where: short stacking energy: -63.548
Base-Backbone interact. energy: -0.534
local terms energy: -71.535551
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -11.867
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: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -230.968440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.968440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.968440 (E_RNA)
where:
Base-Base interactions energy: -153.973
where: short stacking energy: -73.720
Base-Backbone interact. energy: -0.006
local terms energy: -76.989051
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -20.194
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: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -206.974694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.974694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.974694 (E_RNA)
where:
Base-Base interactions energy: -135.388
where: short stacking energy: -58.085
Base-Backbone interact. energy: 0.878
local terms energy: -72.465329
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -189.535938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.535938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.535938 (E_RNA)
where:
Base-Base interactions energy: -119.800
where: short stacking energy: -61.155
Base-Backbone interact. energy: 0.248
local terms energy: -69.983187
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -185.905698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.905698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.905698 (E_RNA)
where:
Base-Base interactions energy: -119.415
where: short stacking energy: -43.056
Base-Backbone interact. energy: -0.768
local terms energy: -65.722856
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -177.702511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.702511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.702511 (E_RNA)
where:
Base-Base interactions energy: -112.410
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.113
local terms energy: -65.179600
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -130.500627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.500627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.500627 (E_RNA)
where:
Base-Base interactions energy: -72.837
where: short stacking energy: -34.442
Base-Backbone interact. energy: -0.357
local terms energy: -57.306447
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -9.868
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: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -107.429182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.429182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.429182 (E_RNA)
where:
Base-Base interactions energy: -60.242
where: short stacking energy: -36.929
Base-Backbone interact. energy: 0.961
local terms energy: -48.148286
where:
bonds (distance) C4'-P energy: -6.922
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -3.059
tors. eta vs tors. theta energy: -8.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -79.362613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.362613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.362613 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -20.367
Base-Backbone interact. energy: -0.179
local terms energy: -48.991899
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: 2.093
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: 353
Temperature: 1.350000
Total energy: -89.136642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.136642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.136642 (E_RNA)
where:
Base-Base interactions energy: -34.587
where: short stacking energy: -25.055
Base-Backbone interact. energy: -0.827
local terms energy: -53.722904
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -6.818
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: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -229.387061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.387061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.387061 (E_RNA)
where:
Base-Base interactions energy: -153.862
where: short stacking energy: -69.749
Base-Backbone interact. energy: -0.293
local terms energy: -75.231600
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -223.011731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.011731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.011731 (E_RNA)
where:
Base-Base interactions energy: -149.050
where: short stacking energy: -70.851
Base-Backbone interact. energy: 0.003
local terms energy: -73.964833
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -196.741147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.741147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.741147 (E_RNA)
where:
Base-Base interactions energy: -133.900
where: short stacking energy: -66.609
Base-Backbone interact. energy: -0.260
local terms energy: -62.581347
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -8.532
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -203.122081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.122081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.122081 (E_RNA)
where:
Base-Base interactions energy: -142.008
where: short stacking energy: -60.175
Base-Backbone interact. energy: 1.078
local terms energy: -62.192697
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -11.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -182.532687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.532687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.532687 (E_RNA)
where:
Base-Base interactions energy: -117.186
where: short stacking energy: -55.086
Base-Backbone interact. energy: -0.128
local terms energy: -65.219288
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -178.975612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.975612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.975612 (E_RNA)
where:
Base-Base interactions energy: -123.958
where: short stacking energy: -56.051
Base-Backbone interact. energy: 0.316
local terms energy: -55.333969
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -93.693981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.693981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.693981 (E_RNA)
where:
Base-Base interactions energy: -32.984
where: short stacking energy: -32.984
Base-Backbone interact. energy: -0.059
local terms energy: -60.650068
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -125.524451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.524451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.524451 (E_RNA)
where:
Base-Base interactions energy: -69.309
where: short stacking energy: -39.883
Base-Backbone interact. energy: -0.611
local terms energy: -55.604273
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -91.927436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.927436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.927436 (E_RNA)
where:
Base-Base interactions energy: -45.991
where: short stacking energy: -26.960
Base-Backbone interact. energy: -0.107
local terms energy: -45.828636
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -4.929
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -78.275315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.275315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.275315 (E_RNA)
where:
Base-Base interactions energy: -31.361
where: short stacking energy: -27.477
Base-Backbone interact. energy: -0.188
local terms energy: -46.726890
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: 0.453
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: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -243.296072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.296072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.296072 (E_RNA)
where:
Base-Base interactions energy: -167.160
where: short stacking energy: -68.302
Base-Backbone interact. energy: -0.207
local terms energy: -75.929455
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -195.684413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.684413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.684413 (E_RNA)
where:
Base-Base interactions energy: -127.118
where: short stacking energy: -64.897
Base-Backbone interact. energy: -0.051
local terms energy: -68.515328
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -216.005805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.005805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.005805 (E_RNA)
where:
Base-Base interactions energy: -140.641
where: short stacking energy: -66.529
Base-Backbone interact. energy: -0.030
local terms energy: -75.334667
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -11.017
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: 4, replica: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -189.739301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.739301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.739301 (E_RNA)
where:
Base-Base interactions energy: -125.655
where: short stacking energy: -62.401
Base-Backbone interact. energy: -0.135
local terms energy: -63.948580
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -196.755996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.755996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.755996 (E_RNA)
where:
Base-Base interactions energy: -135.386
where: short stacking energy: -59.964
Base-Backbone interact. energy: -0.375
local terms energy: -60.994895
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -179.775278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.775278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.775278 (E_RNA)
where:
Base-Base interactions energy: -118.421
where: short stacking energy: -54.077
Base-Backbone interact. energy: -0.042
local terms energy: -61.311818
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -99.630153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.630153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.630153 (E_RNA)
where:
Base-Base interactions energy: -40.631
where: short stacking energy: -34.885
Base-Backbone interact. energy: -0.311
local terms energy: -58.688047
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -1.752
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: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -85.678130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.678130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.678130 (E_RNA)
where:
Base-Base interactions energy: -35.980
where: short stacking energy: -35.980
Base-Backbone interact. energy: 0.193
local terms energy: -49.890563
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -106.834639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.834639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.834639 (E_RNA)
where:
Base-Base interactions energy: -64.787
where: short stacking energy: -27.834
Base-Backbone interact. energy: -0.835
local terms energy: -41.211965
where:
bonds (distance) C4'-P energy: -3.544
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -79.984417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.984417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.984417 (E_RNA)
where:
Base-Base interactions energy: -32.139
where: short stacking energy: -24.792
Base-Backbone interact. energy: -0.767
local terms energy: -47.077720
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: 0.287
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -229.912052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.912052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.912052 (E_RNA)
where:
Base-Base interactions energy: -155.502
where: short stacking energy: -68.086
Base-Backbone interact. energy: -0.286
local terms energy: -74.124431
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -208.862642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.862642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.862642 (E_RNA)
where:
Base-Base interactions energy: -130.949
where: short stacking energy: -61.563
Base-Backbone interact. energy: -0.000
local terms energy: -77.913385
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -10.977
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: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -220.006866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.006866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.006866 (E_RNA)
where:
Base-Base interactions energy: -138.254
where: short stacking energy: -71.433
Base-Backbone interact. energy: -0.022
local terms energy: -81.730681
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -191.516399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.516399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.516399 (E_RNA)
where:
Base-Base interactions energy: -120.650
where: short stacking energy: -65.305
Base-Backbone interact. energy: -0.015
local terms energy: -70.850878
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -16.848
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: 356
Temperature: 1.100000
Total energy: -190.920209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.920209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.920209 (E_RNA)
where:
Base-Base interactions energy: -129.078
where: short stacking energy: -53.582
Base-Backbone interact. energy: -0.093
local terms energy: -61.748895
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -10.016
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -15.277
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: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -166.246583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.246583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.246583 (E_RNA)
where:
Base-Base interactions energy: -105.880
where: short stacking energy: -50.243
Base-Backbone interact. energy: -0.123
local terms energy: -60.243152
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -87.591073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.591073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.591073 (E_RNA)
where:
Base-Base interactions energy: -39.274
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.164
local terms energy: -48.152218
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -100.573204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.573204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.573204 (E_RNA)
where:
Base-Base interactions energy: -54.121
where: short stacking energy: -44.591
Base-Backbone interact. energy: -1.291
local terms energy: -45.161016
where:
bonds (distance) C4'-P energy: -6.790
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -7.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -91.433420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.433420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.433420 (E_RNA)
where:
Base-Base interactions energy: -43.018
where: short stacking energy: -36.170
Base-Backbone interact. energy: 0.045
local terms energy: -48.460004
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -2.430
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: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -81.608156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.608156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.608156 (E_RNA)
where:
Base-Base interactions energy: -29.452
where: short stacking energy: -29.383
Base-Backbone interact. energy: 0.904
local terms energy: -53.060946
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -234.377842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.377842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.377842 (E_RNA)
where:
Base-Base interactions energy: -165.429
where: short stacking energy: -69.053
Base-Backbone interact. energy: -0.342
local terms energy: -68.607377
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -231.476253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.476253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.476253 (E_RNA)
where:
Base-Base interactions energy: -152.841
where: short stacking energy: -77.221
Base-Backbone interact. energy: -0.008
local terms energy: -78.627871
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -192.858143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.858143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.858143 (E_RNA)
where:
Base-Base interactions energy: -122.307
where: short stacking energy: -56.216
Base-Backbone interact. energy: -0.166
local terms energy: -70.385263
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -201.066796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.066796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.066796 (E_RNA)
where:
Base-Base interactions energy: -136.192
where: short stacking energy: -60.361
Base-Backbone interact. energy: 0.697
local terms energy: -65.571625
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -8.661
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: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -186.617126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.617126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.617126 (E_RNA)
where:
Base-Base interactions energy: -127.456
where: short stacking energy: -62.847
Base-Backbone interact. energy: 1.032
local terms energy: -60.192990
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -13.792
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: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -175.401412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.401412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.401412 (E_RNA)
where:
Base-Base interactions energy: -111.799
where: short stacking energy: -47.331
Base-Backbone interact. energy: -0.136
local terms energy: -63.466854
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -89.003533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.003533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.003533 (E_RNA)
where:
Base-Base interactions energy: -29.235
where: short stacking energy: -23.949
Base-Backbone interact. energy: -1.404
local terms energy: -58.364482
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -88.053427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.053427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.053427 (E_RNA)
where:
Base-Base interactions energy: -27.327
where: short stacking energy: -17.579
Base-Backbone interact. energy: -0.214
local terms energy: -60.512497
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -80.309800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.309800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.309800 (E_RNA)
where:
Base-Base interactions energy: -36.512
where: short stacking energy: -35.143
Base-Backbone interact. energy: -0.628
local terms energy: -43.169861
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -2.529
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -10.193
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: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -111.855814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.855814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.855814 (E_RNA)
where:
Base-Base interactions energy: -68.698
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.286
local terms energy: -42.871652
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -6.809
flat angles P-C4'-P energy: -4.418
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: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -232.372245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.372245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.372245 (E_RNA)
where:
Base-Base interactions energy: -153.445
where: short stacking energy: -75.282
Base-Backbone interact. energy: -0.003
local terms energy: -78.924059
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -18.879
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: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -226.966965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.966965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.966965 (E_RNA)
where:
Base-Base interactions energy: -162.296
where: short stacking energy: -67.808
Base-Backbone interact. energy: 0.350
local terms energy: -65.021038
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -199.676571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.676571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.676571 (E_RNA)
where:
Base-Base interactions energy: -132.259
where: short stacking energy: -62.549
Base-Backbone interact. energy: -0.841
local terms energy: -66.576719
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -10.563
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: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -191.290132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.290132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.290132 (E_RNA)
where:
Base-Base interactions energy: -129.642
where: short stacking energy: -63.938
Base-Backbone interact. energy: -0.094
local terms energy: -61.554726
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -186.585227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.585227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.585227 (E_RNA)
where:
Base-Base interactions energy: -130.044
where: short stacking energy: -58.647
Base-Backbone interact. energy: -0.019
local terms energy: -56.522727
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -179.559644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.559644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.559644 (E_RNA)
where:
Base-Base interactions energy: -118.283
where: short stacking energy: -56.451
Base-Backbone interact. energy: -0.104
local terms energy: -61.173291
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -1.999
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -125.284813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.284813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.284813 (E_RNA)
where:
Base-Base interactions energy: -71.962
where: short stacking energy: -40.991
Base-Backbone interact. energy: -0.203
local terms energy: -53.118910
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -3.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -90.453937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.453937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.453937 (E_RNA)
where:
Base-Base interactions energy: -34.023
where: short stacking energy: -32.993
Base-Backbone interact. energy: -0.640
local terms energy: -55.791254
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -84.355471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.355471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.355471 (E_RNA)
where:
Base-Base interactions energy: -22.475
where: short stacking energy: -18.309
Base-Backbone interact. energy: -0.051
local terms energy: -61.828709
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -4.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -73.475517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.475517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.475517 (E_RNA)
where:
Base-Base interactions energy: -27.220
where: short stacking energy: -23.308
Base-Backbone interact. energy: -0.073
local terms energy: -46.182583
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: 1.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -232.874242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.874242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.874242 (E_RNA)
where:
Base-Base interactions energy: -149.634
where: short stacking energy: -77.707
Base-Backbone interact. energy: -0.009
local terms energy: -83.231209
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -221.921189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.921189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.921189 (E_RNA)
where:
Base-Base interactions energy: -151.943
where: short stacking energy: -62.985
Base-Backbone interact. energy: -0.249
local terms energy: -69.728852
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -198.718257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.718257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.718257 (E_RNA)
where:
Base-Base interactions energy: -123.525
where: short stacking energy: -62.738
Base-Backbone interact. energy: -0.087
local terms energy: -75.106560
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -14.080
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: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -192.138985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.138985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.138985 (E_RNA)
where:
Base-Base interactions energy: -137.923
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.052
local terms energy: -54.164855
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -7.642
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -11.751
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: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -185.106948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.106948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.106948 (E_RNA)
where:
Base-Base interactions energy: -115.897
where: short stacking energy: -54.728
Base-Backbone interact. energy: -0.004
local terms energy: -69.206296
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -15.144
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: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -184.919939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.919939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.919939 (E_RNA)
where:
Base-Base interactions energy: -111.034
where: short stacking energy: -53.045
Base-Backbone interact. energy: -0.007
local terms energy: -73.878900
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -126.160560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.160560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.160560 (E_RNA)
where:
Base-Base interactions energy: -68.524
where: short stacking energy: -46.610
Base-Backbone interact. energy: -0.085
local terms energy: -57.550983
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -7.259
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: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -85.944642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.944642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.944642 (E_RNA)
where:
Base-Base interactions energy: -37.805
where: short stacking energy: -29.344
Base-Backbone interact. energy: -0.634
local terms energy: -47.505742
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -103.180933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.180933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.180933 (E_RNA)
where:
Base-Base interactions energy: -64.213
where: short stacking energy: -33.281
Base-Backbone interact. energy: 0.688
local terms energy: -39.655626
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: 1.664
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: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -77.696829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.696829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.696829 (E_RNA)
where:
Base-Base interactions energy: -26.110
where: short stacking energy: -22.106
Base-Backbone interact. energy: -0.096
local terms energy: -51.490091
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -230.150339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.150339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.150339 (E_RNA)
where:
Base-Base interactions energy: -159.106
where: short stacking energy: -64.909
Base-Backbone interact. energy: 0.240
local terms energy: -71.284103
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -226.547892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.547892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.547892 (E_RNA)
where:
Base-Base interactions energy: -152.556
where: short stacking energy: -74.430
Base-Backbone interact. energy: -0.414
local terms energy: -73.577998
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -196.936122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.936122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.936122 (E_RNA)
where:
Base-Base interactions energy: -119.160
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.118
local terms energy: -77.658567
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -211.784484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.784484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.784484 (E_RNA)
where:
Base-Base interactions energy: -144.272
where: short stacking energy: -71.772
Base-Backbone interact. energy: -0.002
local terms energy: -67.510546
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -183.998521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.998521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.998521 (E_RNA)
where:
Base-Base interactions energy: -118.654
where: short stacking energy: -64.542
Base-Backbone interact. energy: -0.103
local terms energy: -65.240643
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -169.766297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.766297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.766297 (E_RNA)
where:
Base-Base interactions energy: -114.022
where: short stacking energy: -52.224
Base-Backbone interact. energy: -0.044
local terms energy: -55.700266
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -94.271562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.271562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.271562 (E_RNA)
where:
Base-Base interactions energy: -35.689
where: short stacking energy: -26.139
Base-Backbone interact. energy: -0.063
local terms energy: -58.519615
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -93.450795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.450795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.450795 (E_RNA)
where:
Base-Base interactions energy: -50.503
where: short stacking energy: -28.760
Base-Backbone interact. energy: -0.751
local terms energy: -42.196969
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -99.582887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.582887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.582887 (E_RNA)
where:
Base-Base interactions energy: -49.573
where: short stacking energy: -35.390
Base-Backbone interact. energy: -0.088
local terms energy: -49.921747
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -6.569
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: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -78.094551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.094551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.094551 (E_RNA)
where:
Base-Base interactions energy: -31.428
where: short stacking energy: -30.660
Base-Backbone interact. energy: -0.078
local terms energy: -46.587864
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -225.328432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.328432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.328432 (E_RNA)
where:
Base-Base interactions energy: -161.485
where: short stacking energy: -57.408
Base-Backbone interact. energy: -0.167
local terms energy: -63.676129
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -226.581327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.581327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.581327 (E_RNA)
where:
Base-Base interactions energy: -150.071
where: short stacking energy: -73.962
Base-Backbone interact. energy: -0.019
local terms energy: -76.491632
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -194.196847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.196847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.196847 (E_RNA)
where:
Base-Base interactions energy: -125.142
where: short stacking energy: -54.106
Base-Backbone interact. energy: -0.022
local terms energy: -69.033586
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -13.267
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: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -197.823598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.823598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.823598 (E_RNA)
where:
Base-Base interactions energy: -134.192
where: short stacking energy: -64.407
Base-Backbone interact. energy: -1.180
local terms energy: -62.451626
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -217.498155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.498155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.498155 (E_RNA)
where:
Base-Base interactions energy: -142.616
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.672
local terms energy: -74.210085
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -174.399282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.399282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.399282 (E_RNA)
where:
Base-Base interactions energy: -112.179
where: short stacking energy: -50.542
Base-Backbone interact. energy: -0.066
local terms energy: -62.154778
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -11.518
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: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -118.402339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.402339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.402339 (E_RNA)
where:
Base-Base interactions energy: -65.853
where: short stacking energy: -44.297
Base-Backbone interact. energy: -0.136
local terms energy: -52.412939
where:
bonds (distance) C4'-P energy: -7.484
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -91.103631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.103631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.103631 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -18.281
Base-Backbone interact. energy: -1.491
local terms energy: -51.538902
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -79.151755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.151755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.151755 (E_RNA)
where:
Base-Base interactions energy: -28.796
where: short stacking energy: -17.502
Base-Backbone interact. energy: -0.734
local terms energy: -49.621876
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: 4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -84.134058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.134058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.134058 (E_RNA)
where:
Base-Base interactions energy: -26.184
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.183
local terms energy: -57.767136
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -231.862919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.862919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.862919 (E_RNA)
where:
Base-Base interactions energy: -157.014
where: short stacking energy: -79.651
Base-Backbone interact. energy: -0.008
local terms energy: -74.840304
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -223.622906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.622906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.622906 (E_RNA)
where:
Base-Base interactions energy: -163.548
where: short stacking energy: -61.191
Base-Backbone interact. energy: -0.445
local terms energy: -59.629216
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -211.826270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.826270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.826270 (E_RNA)
where:
Base-Base interactions energy: -140.377
where: short stacking energy: -63.360
Base-Backbone interact. energy: -0.430
local terms energy: -71.019213
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -185.094692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.094692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.094692 (E_RNA)
where:
Base-Base interactions energy: -114.600
where: short stacking energy: -51.668
Base-Backbone interact. energy: -0.654
local terms energy: -69.840933
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -215.001662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.001662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.001662 (E_RNA)
where:
Base-Base interactions energy: -136.691
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.044
local terms energy: -78.266615
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -189.080400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.080400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.080400 (E_RNA)
where:
Base-Base interactions energy: -124.538
where: short stacking energy: -55.973
Base-Backbone interact. energy: -0.029
local terms energy: -64.513345
where:
bonds (distance) C4'-P energy: -7.127
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -90.335001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.335001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.335001 (E_RNA)
where:
Base-Base interactions energy: -32.180
where: short stacking energy: -32.180
Base-Backbone interact. energy: -0.024
local terms energy: -58.130984
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -111.783852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.783852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.783852 (E_RNA)
where:
Base-Base interactions energy: -63.348
where: short stacking energy: -35.278
Base-Backbone interact. energy: -0.101
local terms energy: -48.335094
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -6.153
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: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -78.783390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.783390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.783390 (E_RNA)
where:
Base-Base interactions energy: -36.648
where: short stacking energy: -33.109
Base-Backbone interact. energy: 1.279
local terms energy: -43.414680
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -7.398
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -84.336470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.336470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.336470 (E_RNA)
where:
Base-Base interactions energy: -29.882
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.064
local terms energy: -54.390872
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -233.224192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.224192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.224192 (E_RNA)
where:
Base-Base interactions energy: -153.865
where: short stacking energy: -71.409
Base-Backbone interact. energy: -0.117
local terms energy: -79.242941
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -20.237
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: 363
Temperature: 0.950000
Total energy: -223.556077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.556077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.556077 (E_RNA)
where:
Base-Base interactions energy: -150.221
where: short stacking energy: -67.024
Base-Backbone interact. energy: -0.485
local terms energy: -72.850141
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.642
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: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -216.073190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.073190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.073190 (E_RNA)
where:
Base-Base interactions energy: -153.765
where: short stacking energy: -53.579
Base-Backbone interact. energy: -0.430
local terms energy: -61.877843
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -13.796
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: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -223.809359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.809359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.809359 (E_RNA)
where:
Base-Base interactions energy: -153.090
where: short stacking energy: -68.862
Base-Backbone interact. energy: -0.632
local terms energy: -70.088139
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -18.321
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: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -183.956097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.956097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.956097 (E_RNA)
where:
Base-Base interactions energy: -117.501
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.012
local terms energy: -66.443361
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -186.701281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.701281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.701281 (E_RNA)
where:
Base-Base interactions energy: -117.124
where: short stacking energy: -55.098
Base-Backbone interact. energy: -0.001
local terms energy: -69.576355
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -94.903913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.903913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.903913 (E_RNA)
where:
Base-Base interactions energy: -39.402
where: short stacking energy: -32.553
Base-Backbone interact. energy: -0.055
local terms energy: -55.446535
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -116.633461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.633461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.633461 (E_RNA)
where:
Base-Base interactions energy: -70.162
where: short stacking energy: -34.862
Base-Backbone interact. energy: -0.109
local terms energy: -46.361741
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -76.813707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.813707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.813707 (E_RNA)
where:
Base-Base interactions energy: -36.552
where: short stacking energy: -34.353
Base-Backbone interact. energy: 1.220
local terms energy: -41.481409
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -9.494
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -5.344
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: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -81.141766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.141766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.141766 (E_RNA)
where:
Base-Base interactions energy: -34.411
where: short stacking energy: -34.411
Base-Backbone interact. energy: -0.233
local terms energy: -46.497281
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -227.314497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.314497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.314497 (E_RNA)
where:
Base-Base interactions energy: -147.079
where: short stacking energy: -76.565
Base-Backbone interact. energy: -0.204
local terms energy: -80.031627
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -20.661
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: 2, replica: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -217.717527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.717527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.717527 (E_RNA)
where:
Base-Base interactions energy: -139.736
where: short stacking energy: -65.637
Base-Backbone interact. energy: -0.174
local terms energy: -77.806709
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -205.573910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.573910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.573910 (E_RNA)
where:
Base-Base interactions energy: -135.249
where: short stacking energy: -73.775
Base-Backbone interact. energy: -1.050
local terms energy: -69.275344
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -201.982949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.982949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.982949 (E_RNA)
where:
Base-Base interactions energy: -143.259
where: short stacking energy: -51.601
Base-Backbone interact. energy: -0.662
local terms energy: -58.062645
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -187.984767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.984767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.984767 (E_RNA)
where:
Base-Base interactions energy: -118.845
where: short stacking energy: -56.117
Base-Backbone interact. energy: -0.032
local terms energy: -69.108676
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -185.148503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.148503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.148503 (E_RNA)
where:
Base-Base interactions energy: -118.718
where: short stacking energy: -56.224
Base-Backbone interact. energy: -0.092
local terms energy: -66.338374
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -93.583001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.583001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.583001 (E_RNA)
where:
Base-Base interactions energy: -50.928
where: short stacking energy: -30.086
Base-Backbone interact. energy: 0.924
local terms energy: -43.578911
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -86.933406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.933406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.933406 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -35.229
Base-Backbone interact. energy: -0.271
local terms energy: -48.561347
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -8.023
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: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -79.503649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.503649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.503649 (E_RNA)
where:
Base-Base interactions energy: -30.213
where: short stacking energy: -22.772
Base-Backbone interact. energy: -0.293
local terms energy: -48.996925
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -115.453134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.453134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.453134 (E_RNA)
where:
Base-Base interactions energy: -54.686
where: short stacking energy: -29.063
Base-Backbone interact. energy: 0.017
local terms energy: -60.784594
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -226.084700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.084700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.084700 (E_RNA)
where:
Base-Base interactions energy: -146.346
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.005
local terms energy: -79.733811
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -207.898856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.898856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.898856 (E_RNA)
where:
Base-Base interactions energy: -143.872
where: short stacking energy: -66.009
Base-Backbone interact. energy: -0.027
local terms energy: -63.999980
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -210.809743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.809743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.809743 (E_RNA)
where:
Base-Base interactions energy: -138.342
where: short stacking energy: -59.173
Base-Backbone interact. energy: -0.617
local terms energy: -71.850316
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -201.586835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.586835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.586835 (E_RNA)
where:
Base-Base interactions energy: -124.501
where: short stacking energy: -65.658
Base-Backbone interact. energy: -0.542
local terms energy: -76.543065
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -212.029648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.029648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.029648 (E_RNA)
where:
Base-Base interactions energy: -147.890
where: short stacking energy: -59.303
Base-Backbone interact. energy: -0.227
local terms energy: -63.912812
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -166.088649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.088649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.088649 (E_RNA)
where:
Base-Base interactions energy: -97.232
where: short stacking energy: -41.708
Base-Backbone interact. energy: -0.417
local terms energy: -68.440239
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -117.026646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.026646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.026646 (E_RNA)
where:
Base-Base interactions energy: -61.402
where: short stacking energy: -41.170
Base-Backbone interact. energy: -0.056
local terms energy: -55.569258
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -89.134609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.134609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.134609 (E_RNA)
where:
Base-Base interactions energy: -46.964
where: short stacking energy: -39.856
Base-Backbone interact. energy: -0.562
local terms energy: -41.608921
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -91.963538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.963538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.963538 (E_RNA)
where:
Base-Base interactions energy: -30.395
where: short stacking energy: -28.065
Base-Backbone interact. energy: -1.663
local terms energy: -59.906208
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -81.425328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.425328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.425328 (E_RNA)
where:
Base-Base interactions energy: -23.993
where: short stacking energy: -23.993
Base-Backbone interact. energy: -0.046
local terms energy: -57.386672
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -4.917
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: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -232.195220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.195220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.195220 (E_RNA)
where:
Base-Base interactions energy: -150.353
where: short stacking energy: -68.712
Base-Backbone interact. energy: -0.012
local terms energy: -81.829374
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -216.397911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.397911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.397911 (E_RNA)
where:
Base-Base interactions energy: -144.346
where: short stacking energy: -70.142
Base-Backbone interact. energy: -0.110
local terms energy: -71.942197
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.534
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: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -191.940848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.940848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.940848 (E_RNA)
where:
Base-Base interactions energy: -130.489
where: short stacking energy: -67.173
Base-Backbone interact. energy: -0.003
local terms energy: -61.448767
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -18.267
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: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -193.945705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.945705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.945705 (E_RNA)
where:
Base-Base interactions energy: -132.057
where: short stacking energy: -61.365
Base-Backbone interact. energy: -0.076
local terms energy: -61.812584
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -197.813873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.813873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.813873 (E_RNA)
where:
Base-Base interactions energy: -131.354
where: short stacking energy: -54.470
Base-Backbone interact. energy: 0.367
local terms energy: -66.827014
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -188.530426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.530426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.530426 (E_RNA)
where:
Base-Base interactions energy: -118.341
where: short stacking energy: -63.465
Base-Backbone interact. energy: -0.030
local terms energy: -70.159622
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -10.490
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: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -131.098228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.098228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.098228 (E_RNA)
where:
Base-Base interactions energy: -80.195
where: short stacking energy: -38.287
Base-Backbone interact. energy: -0.070
local terms energy: -50.833515
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -80.393586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.393586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.393586 (E_RNA)
where:
Base-Base interactions energy: -39.655
where: short stacking energy: -26.104
Base-Backbone interact. energy: -2.739
local terms energy: -37.999813
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -83.871237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.871237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.871237 (E_RNA)
where:
Base-Base interactions energy: -35.114
where: short stacking energy: -35.114
Base-Backbone interact. energy: -0.113
local terms energy: -48.644056
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -8.056
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -72.202070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.202070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.202070 (E_RNA)
where:
Base-Base interactions energy: -28.891
where: short stacking energy: -19.165
Base-Backbone interact. energy: -0.194
local terms energy: -43.117414
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: 3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -234.307417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.307417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.307417 (E_RNA)
where:
Base-Base interactions energy: -155.092
where: short stacking energy: -71.997
Base-Backbone interact. energy: -0.000
local terms energy: -79.214999
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -21.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -223.094056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.094056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.094056 (E_RNA)
where:
Base-Base interactions energy: -145.123
where: short stacking energy: -66.433
Base-Backbone interact. energy: -0.636
local terms energy: -77.335136
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -194.657510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.657510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.657510 (E_RNA)
where:
Base-Base interactions energy: -127.411
where: short stacking energy: -64.781
Base-Backbone interact. energy: -0.049
local terms energy: -67.197406
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -17.965
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: 367
Temperature: 1.050000
Total energy: -212.442494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.442494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.442494 (E_RNA)
where:
Base-Base interactions energy: -149.254
where: short stacking energy: -60.812
Base-Backbone interact. energy: -0.253
local terms energy: -62.935116
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -189.568208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.568208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.568208 (E_RNA)
where:
Base-Base interactions energy: -132.401
where: short stacking energy: -63.153
Base-Backbone interact. energy: -0.032
local terms energy: -57.135062
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -184.049928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.049928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.049928 (E_RNA)
where:
Base-Base interactions energy: -111.751
where: short stacking energy: -56.797
Base-Backbone interact. energy: 0.233
local terms energy: -72.531821
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -10.026
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: 7, replica: 7
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -139.195827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.195827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.195827 (E_RNA)
where:
Base-Base interactions energy: -81.589
where: short stacking energy: -44.357
Base-Backbone interact. energy: -0.235
local terms energy: -57.371918
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -88.772635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.772635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.772635 (E_RNA)
where:
Base-Base interactions energy: -34.311
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.614
local terms energy: -53.847160
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -90.026124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.026124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.026124 (E_RNA)
where:
Base-Base interactions energy: -43.532
where: short stacking energy: -33.825
Base-Backbone interact. energy: 0.561
local terms energy: -47.055008
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: 3.640
tors. eta vs tors. theta energy: -7.504
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: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -84.489903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.489903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.489903 (E_RNA)
where:
Base-Base interactions energy: -41.255
where: short stacking energy: -28.496
Base-Backbone interact. energy: -0.120
local terms energy: -43.114375
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: 3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -224.902295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.902295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.902295 (E_RNA)
where:
Base-Base interactions energy: -151.824
where: short stacking energy: -73.233
Base-Backbone interact. energy: -0.218
local terms energy: -72.860532
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -223.619882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.619882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.619882 (E_RNA)
where:
Base-Base interactions energy: -147.857
where: short stacking energy: -70.589
Base-Backbone interact. energy: -0.030
local terms energy: -75.733291
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -217.717902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.717902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.717902 (E_RNA)
where:
Base-Base interactions energy: -153.362
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.512
local terms energy: -63.843991
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -198.846180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.846180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.846180 (E_RNA)
where:
Base-Base interactions energy: -129.841
where: short stacking energy: -55.384
Base-Backbone interact. energy: -0.122
local terms energy: -68.883420
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -183.360078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.360078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.360078 (E_RNA)
where:
Base-Base interactions energy: -121.634
where: short stacking energy: -60.317
Base-Backbone interact. energy: -0.020
local terms energy: -61.706554
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -7.726
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -14.232
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: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -179.469630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.469630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.469630 (E_RNA)
where:
Base-Base interactions energy: -112.028
where: short stacking energy: -58.576
Base-Backbone interact. energy: -0.015
local terms energy: -67.427154
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -133.198044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.198044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.198044 (E_RNA)
where:
Base-Base interactions energy: -71.751
where: short stacking energy: -32.007
Base-Backbone interact. energy: 1.187
local terms energy: -62.633714
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -83.155371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.155371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.155371 (E_RNA)
where:
Base-Base interactions energy: -31.159
where: short stacking energy: -24.605
Base-Backbone interact. energy: -0.466
local terms energy: -51.530838
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -3.746
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: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -90.668563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.668563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.668563 (E_RNA)
where:
Base-Base interactions energy: -46.829
where: short stacking energy: -35.948
Base-Backbone interact. energy: -0.116
local terms energy: -43.724451
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -85.348065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.348065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.348065 (E_RNA)
where:
Base-Base interactions energy: -40.952
where: short stacking energy: -38.442
Base-Backbone interact. energy: 1.217
local terms energy: -45.613262
where:
bonds (distance) C4'-P energy: -5.835
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -4.920
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -231.359355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.359355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.359355 (E_RNA)
where:
Base-Base interactions energy: -153.260
where: short stacking energy: -72.501
Base-Backbone interact. energy: -0.010
local terms energy: -78.090246
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -222.711734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.711734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.711734 (E_RNA)
where:
Base-Base interactions energy: -151.754
where: short stacking energy: -65.595
Base-Backbone interact. energy: -0.496
local terms energy: -70.461631
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -219.486753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.486753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.486753 (E_RNA)
where:
Base-Base interactions energy: -144.243
where: short stacking energy: -68.368
Base-Backbone interact. energy: -0.412
local terms energy: -74.831005
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -188.574321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.574321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.574321 (E_RNA)
where:
Base-Base interactions energy: -123.233
where: short stacking energy: -61.401
Base-Backbone interact. energy: -0.013
local terms energy: -65.328517
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -15.397
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: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -177.625628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.625628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.625628 (E_RNA)
where:
Base-Base interactions energy: -111.492
where: short stacking energy: -47.753
Base-Backbone interact. energy: -0.398
local terms energy: -65.735490
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -176.576516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.576516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.576516 (E_RNA)
where:
Base-Base interactions energy: -111.748
where: short stacking energy: -55.218
Base-Backbone interact. energy: -0.025
local terms energy: -64.804003
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -116.429319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.429319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.429319 (E_RNA)
where:
Base-Base interactions energy: -66.075
where: short stacking energy: -34.310
Base-Backbone interact. energy: -0.061
local terms energy: -50.293793
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -0.364
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: 369
Temperature: 1.250000
Total energy: -88.766896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.766896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.766896 (E_RNA)
where:
Base-Base interactions energy: -37.400
where: short stacking energy: -22.997
Base-Backbone interact. energy: -0.011
local terms energy: -51.355519
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -82.133681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.133681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.133681 (E_RNA)
where:
Base-Base interactions energy: -30.632
where: short stacking energy: -23.027
Base-Backbone interact. energy: -0.198
local terms energy: -51.303324
where:
bonds (distance) C4'-P energy: -7.794
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -7.771
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: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -73.544754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.544754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.544754 (E_RNA)
where:
Base-Base interactions energy: -22.958
where: short stacking energy: -22.958
Base-Backbone interact. energy: -0.174
local terms energy: -50.413287
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: 0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -227.814048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.814048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.814048 (E_RNA)
where:
Base-Base interactions energy: -147.525
where: short stacking energy: -69.433
Base-Backbone interact. energy: -0.132
local terms energy: -80.156446
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -226.821138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.821138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.821138 (E_RNA)
where:
Base-Base interactions energy: -155.782
where: short stacking energy: -66.215
Base-Backbone interact. energy: -0.393
local terms energy: -70.646533
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -16.422
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: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -214.795814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.795814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.795814 (E_RNA)
where:
Base-Base interactions energy: -140.240
where: short stacking energy: -74.146
Base-Backbone interact. energy: -0.003
local terms energy: -74.552473
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -23.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -180.389142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.389142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.389142 (E_RNA)
where:
Base-Base interactions energy: -118.701
where: short stacking energy: -55.176
Base-Backbone interact. energy: 0.051
local terms energy: -61.738851
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -178.151677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.151677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.151677 (E_RNA)
where:
Base-Base interactions energy: -118.118
where: short stacking energy: -66.803
Base-Backbone interact. energy: -0.045
local terms energy: -59.988833
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -13.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -174.038832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.038832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.038832 (E_RNA)
where:
Base-Base interactions energy: -107.466
where: short stacking energy: -49.951
Base-Backbone interact. energy: -0.794
local terms energy: -65.779518
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -95.325973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.325973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.325973 (E_RNA)
where:
Base-Base interactions energy: -35.012
where: short stacking energy: -35.012
Base-Backbone interact. energy: -0.057
local terms energy: -60.257584
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -95.676412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.676412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.676412 (E_RNA)
where:
Base-Base interactions energy: -46.968
where: short stacking energy: -29.738
Base-Backbone interact. energy: -0.241
local terms energy: -48.466645
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: 2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -98.764399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.764399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.764399 (E_RNA)
where:
Base-Base interactions energy: -47.557
where: short stacking energy: -36.145
Base-Backbone interact. energy: -0.044
local terms energy: -51.163385
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -79.334227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.334227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.334227 (E_RNA)
where:
Base-Base interactions energy: -29.936
where: short stacking energy: -27.205
Base-Backbone interact. energy: -0.176
local terms energy: -49.221962
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -230.474164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.474164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.474164 (E_RNA)
where:
Base-Base interactions energy: -154.756
where: short stacking energy: -78.802
Base-Backbone interact. energy: -0.035
local terms energy: -75.683014
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -215.379325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.379325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.379325 (E_RNA)
where:
Base-Base interactions energy: -136.844
where: short stacking energy: -68.546
Base-Backbone interact. energy: -0.241
local terms energy: -78.294930
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -216.172245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.172245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.172245 (E_RNA)
where:
Base-Base interactions energy: -141.758
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.811
local terms energy: -73.603276
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -192.511994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.511994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.511994 (E_RNA)
where:
Base-Base interactions energy: -121.378
where: short stacking energy: -49.420
Base-Backbone interact. energy: -1.038
local terms energy: -70.096278
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -183.143568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.143568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.143568 (E_RNA)
where:
Base-Base interactions energy: -118.824
where: short stacking energy: -55.804
Base-Backbone interact. energy: -0.003
local terms energy: -64.316327
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -12.702
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: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -173.214738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.214738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.214738 (E_RNA)
where:
Base-Base interactions energy: -111.307
where: short stacking energy: -51.764
Base-Backbone interact. energy: -0.097
local terms energy: -61.811088
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -9.949
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: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -93.560615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.560615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.560615 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -28.086
Base-Backbone interact. energy: 0.037
local terms energy: -55.496534
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -11.677
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: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -90.018795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.018795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.018795 (E_RNA)
where:
Base-Base interactions energy: -48.869
where: short stacking energy: -36.385
Base-Backbone interact. energy: -0.073
local terms energy: -41.076316
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -0.858
tors. eta vs tors. theta energy: 0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -81.512789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.512789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.512789 (E_RNA)
where:
Base-Base interactions energy: -26.448
where: short stacking energy: -24.868
Base-Backbone interact. energy: 0.365
local terms energy: -55.429259
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -75.891359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.891359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.891359 (E_RNA)
where:
Base-Base interactions energy: -37.715
where: short stacking energy: -23.339
Base-Backbone interact. energy: -1.166
local terms energy: -37.010454
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -5.088
flat angles P-C4'-P energy: -4.477
tors. eta vs tors. theta energy: 0.558
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: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -225.942008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.942008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.942008 (E_RNA)
where:
Base-Base interactions energy: -150.052
where: short stacking energy: -78.571
Base-Backbone interact. energy: -0.234
local terms energy: -75.656463
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -231.224598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.224598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.224598 (E_RNA)
where:
Base-Base interactions energy: -153.211
where: short stacking energy: -76.362
Base-Backbone interact. energy: -0.004
local terms energy: -78.009582
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -213.063003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.063003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.063003 (E_RNA)
where:
Base-Base interactions energy: -144.768
where: short stacking energy: -65.270
Base-Backbone interact. energy: 0.006
local terms energy: -68.300686
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -205.236365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.236365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.236365 (E_RNA)
where:
Base-Base interactions energy: -136.436
where: short stacking energy: -57.639
Base-Backbone interact. energy: 0.179
local terms energy: -68.979641
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -12.401
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: 372
Temperature: 1.100000
Total energy: -184.192673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.192673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.192673 (E_RNA)
where:
Base-Base interactions energy: -121.523
where: short stacking energy: -58.482
Base-Backbone interact. energy: -0.115
local terms energy: -62.554823
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -186.461097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.461097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.461097 (E_RNA)
where:
Base-Base interactions energy: -126.349
where: short stacking energy: -54.253
Base-Backbone interact. energy: -0.245
local terms energy: -59.866689
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -10.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -91.072616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.072616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.072616 (E_RNA)
where:
Base-Base interactions energy: -36.535
where: short stacking energy: -29.781
Base-Backbone interact. energy: 0.384
local terms energy: -54.921759
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -3.767
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: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -91.795630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.795630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.795630 (E_RNA)
where:
Base-Base interactions energy: -39.210
where: short stacking energy: -31.228
Base-Backbone interact. energy: -0.668
local terms energy: -51.917449
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: 1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -89.623257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.623257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.623257 (E_RNA)
where:
Base-Base interactions energy: -46.645
where: short stacking energy: -30.363
Base-Backbone interact. energy: -0.303
local terms energy: -42.675646
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -8.210
flat angles P-C4'-P energy: -4.833
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: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -70.545221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.545221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.545221 (E_RNA)
where:
Base-Base interactions energy: -20.977
where: short stacking energy: -15.064
Base-Backbone interact. energy: -0.235
local terms energy: -49.333297
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -229.875595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.875595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.875595 (E_RNA)
where:
Base-Base interactions energy: -150.843
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.045
local terms energy: -78.987720
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -20.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -206.698842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.698842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.698842 (E_RNA)
where:
Base-Base interactions energy: -138.354
where: short stacking energy: -53.375
Base-Backbone interact. energy: -1.588
local terms energy: -66.757105
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -218.921999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.921999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.921999 (E_RNA)
where:
Base-Base interactions energy: -143.324
where: short stacking energy: -64.958
Base-Backbone interact. energy: -0.094
local terms energy: -75.503832
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -20.832
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: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -217.350859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.350859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.350859 (E_RNA)
where:
Base-Base interactions energy: -141.037
where: short stacking energy: -63.655
Base-Backbone interact. energy: 0.808
local terms energy: -77.121866
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -11.416
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: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -180.861215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.861215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.861215 (E_RNA)
where:
Base-Base interactions energy: -118.270
where: short stacking energy: -46.318
Base-Backbone interact. energy: -0.198
local terms energy: -62.392292
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -173.476126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.476126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.476126 (E_RNA)
where:
Base-Base interactions energy: -105.144
where: short stacking energy: -45.483
Base-Backbone interact. energy: -0.106
local terms energy: -68.226371
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -89.411914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.411914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.411914 (E_RNA)
where:
Base-Base interactions energy: -34.287
where: short stacking energy: -34.002
Base-Backbone interact. energy: -0.126
local terms energy: -54.998157
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -4.459
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: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -100.339644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.339644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.339644 (E_RNA)
where:
Base-Base interactions energy: -41.867
where: short stacking energy: -37.075
Base-Backbone interact. energy: -0.214
local terms energy: -58.258856
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -7.295
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -84.293658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.293658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.293658 (E_RNA)
where:
Base-Base interactions energy: -33.842
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.015
local terms energy: -50.437087
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -87.277117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.277117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.277117 (E_RNA)
where:
Base-Base interactions energy: -44.762
where: short stacking energy: -35.531
Base-Backbone interact. energy: -0.214
local terms energy: -42.301454
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -230.155686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.155686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.155686 (E_RNA)
where:
Base-Base interactions energy: -152.285
where: short stacking energy: -74.927
Base-Backbone interact. energy: -0.014
local terms energy: -77.857396
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -11.907
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: 2, replica: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -199.230807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.230807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.230807 (E_RNA)
where:
Base-Base interactions energy: -135.131
where: short stacking energy: -57.499
Base-Backbone interact. energy: 0.243
local terms energy: -64.343226
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -227.974677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.974677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.974677 (E_RNA)
where:
Base-Base interactions energy: -152.513
where: short stacking energy: -64.063
Base-Backbone interact. energy: -0.092
local terms energy: -75.370275
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -216.047914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.047914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.047914 (E_RNA)
where:
Base-Base interactions energy: -146.466
where: short stacking energy: -56.554
Base-Backbone interact. energy: -0.508
local terms energy: -69.074365
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -187.256260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.256260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.256260 (E_RNA)
where:
Base-Base interactions energy: -116.439
where: short stacking energy: -62.370
Base-Backbone interact. energy: -0.121
local terms energy: -70.696402
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -174.082670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.082670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.082670 (E_RNA)
where:
Base-Base interactions energy: -115.150
where: short stacking energy: -55.270
Base-Backbone interact. energy: 1.929
local terms energy: -60.861461
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -103.738548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.738548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.738548 (E_RNA)
where:
Base-Base interactions energy: -46.297
where: short stacking energy: -38.801
Base-Backbone interact. energy: -0.103
local terms energy: -57.338205
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -7.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -87.055177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.055177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.055177 (E_RNA)
where:
Base-Base interactions energy: -40.445
where: short stacking energy: -35.374
Base-Backbone interact. energy: -0.061
local terms energy: -46.549045
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -7.819
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -93.052967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.052967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.052967 (E_RNA)
where:
Base-Base interactions energy: -39.097
where: short stacking energy: -39.097
Base-Backbone interact. energy: -0.736
local terms energy: -53.219770
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -8.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -81.410341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.410341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.410341 (E_RNA)
where:
Base-Base interactions energy: -31.652
where: short stacking energy: -31.652
Base-Backbone interact. energy: -0.050
local terms energy: -49.708774
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -9.266
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: 375
Temperature: 0.900000
Total energy: -229.471693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.471693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.471693 (E_RNA)
where:
Base-Base interactions energy: -150.378
where: short stacking energy: -68.612
Base-Backbone interact. energy: -0.018
local terms energy: -79.076024
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -192.557313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.557313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.557313 (E_RNA)
where:
Base-Base interactions energy: -130.131
where: short stacking energy: -55.760
Base-Backbone interact. energy: -0.027
local terms energy: -62.399405
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -15.391
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: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -218.526800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.526800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.526800 (E_RNA)
where:
Base-Base interactions energy: -145.968
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.362
local terms energy: -72.197349
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -182.742877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.742877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.742877 (E_RNA)
where:
Base-Base interactions energy: -127.267
where: short stacking energy: -58.278
Base-Backbone interact. energy: -0.043
local terms energy: -55.433201
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -8.515
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -9.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -215.046066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.046066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.046066 (E_RNA)
where:
Base-Base interactions energy: -155.120
where: short stacking energy: -59.394
Base-Backbone interact. energy: -0.375
local terms energy: -59.551848
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -96.833760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.833760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.833760 (E_RNA)
where:
Base-Base interactions energy: -43.911
where: short stacking energy: -37.868
Base-Backbone interact. energy: 0.327
local terms energy: -53.249289
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -1.579
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: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -172.380292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.380292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.380292 (E_RNA)
where:
Base-Base interactions energy: -105.546
where: short stacking energy: -49.507
Base-Backbone interact. energy: -0.011
local terms energy: -66.822935
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -78.352672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.352672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.352672 (E_RNA)
where:
Base-Base interactions energy: -33.944
where: short stacking energy: -33.527
Base-Backbone interact. energy: -0.118
local terms energy: -44.290633
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -82.854547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.854547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.854547 (E_RNA)
where:
Base-Base interactions energy: -29.959
where: short stacking energy: -29.103
Base-Backbone interact. energy: -0.179
local terms energy: -52.716684
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -88.422333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.422333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.422333 (E_RNA)
where:
Base-Base interactions energy: -28.083
where: short stacking energy: -26.001
Base-Backbone interact. energy: -0.107
local terms energy: -60.231886
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -227.227168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.227168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.227168 (E_RNA)
where:
Base-Base interactions energy: -151.741
where: short stacking energy: -76.543
Base-Backbone interact. energy: -0.057
local terms energy: -75.429146
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -21.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -194.444120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.444120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.444120 (E_RNA)
where:
Base-Base interactions energy: -124.851
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.048
local terms energy: -69.545377
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -14.607
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: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -207.175286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.175286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.175286 (E_RNA)
where:
Base-Base interactions energy: -144.927
where: short stacking energy: -63.121
Base-Backbone interact. energy: -0.096
local terms energy: -62.151663
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -221.203988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.203988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.203988 (E_RNA)
where:
Base-Base interactions energy: -143.525
where: short stacking energy: -74.173
Base-Backbone interact. energy: -0.001
local terms energy: -77.678268
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -23.079
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: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -204.655380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.655380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.655380 (E_RNA)
where:
Base-Base interactions energy: -143.392
where: short stacking energy: -58.562
Base-Backbone interact. energy: -0.264
local terms energy: -60.999295
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -98.460876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.460876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.460876 (E_RNA)
where:
Base-Base interactions energy: -45.254
where: short stacking energy: -31.096
Base-Backbone interact. energy: 1.185
local terms energy: -54.391970
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -170.758676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.758676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.758676 (E_RNA)
where:
Base-Base interactions energy: -104.690
where: short stacking energy: -51.859
Base-Backbone interact. energy: -0.063
local terms energy: -66.005567
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -80.175933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.175933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.175933 (E_RNA)
where:
Base-Base interactions energy: -39.142
where: short stacking energy: -23.113
Base-Backbone interact. energy: 0.590
local terms energy: -41.624426
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -8.115
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -72.642378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.642378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.642378 (E_RNA)
where:
Base-Base interactions energy: -26.440
where: short stacking energy: -24.388
Base-Backbone interact. energy: -0.080
local terms energy: -46.122152
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -75.693224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.693224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.693224 (E_RNA)
where:
Base-Base interactions energy: -30.893
where: short stacking energy: -25.679
Base-Backbone interact. energy: -0.272
local terms energy: -44.528567
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -8.540
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -233.981112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.981112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.981112 (E_RNA)
where:
Base-Base interactions energy: -152.199
where: short stacking energy: -80.050
Base-Backbone interact. energy: -0.002
local terms energy: -81.780265
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -210.760168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.760168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.760168 (E_RNA)
where:
Base-Base interactions energy: -135.153
where: short stacking energy: -59.899
Base-Backbone interact. energy: -0.202
local terms energy: -75.404967
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -16.961
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: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -200.828821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.828821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.828821 (E_RNA)
where:
Base-Base interactions energy: -133.371
where: short stacking energy: -58.844
Base-Backbone interact. energy: -0.635
local terms energy: -66.823357
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -14.317
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: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -202.050507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.050507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.050507 (E_RNA)
where:
Base-Base interactions energy: -138.868
where: short stacking energy: -55.624
Base-Backbone interact. energy: -0.676
local terms energy: -62.506262
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -9.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -196.174585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.174585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.174585 (E_RNA)
where:
Base-Base interactions energy: -139.192
where: short stacking energy: -61.229
Base-Backbone interact. energy: 0.112
local terms energy: -57.094787
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -7.940
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: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -178.812974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.812974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.812974 (E_RNA)
where:
Base-Base interactions energy: -116.643
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.142
local terms energy: -62.028040
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -107.475817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.475817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.475817 (E_RNA)
where:
Base-Base interactions energy: -57.879
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.502
local terms energy: -49.094405
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -83.244669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.244669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.244669 (E_RNA)
where:
Base-Base interactions energy: -31.074
where: short stacking energy: -29.970
Base-Backbone interact. energy: 0.226
local terms energy: -52.396084
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -85.861758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.861758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.861758 (E_RNA)
where:
Base-Base interactions energy: -36.117
where: short stacking energy: -29.750
Base-Backbone interact. energy: -0.313
local terms energy: -49.431506
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -6.942
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: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -72.481038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.481038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.481038 (E_RNA)
where:
Base-Base interactions energy: -26.300
where: short stacking energy: -26.300
Base-Backbone interact. energy: 1.609
local terms energy: -47.790403
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -236.747899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.747899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.747899 (E_RNA)
where:
Base-Base interactions energy: -158.830
where: short stacking energy: -76.908
Base-Backbone interact. energy: -0.000
local terms energy: -77.917528
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -8.072
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: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -213.575325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.575325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.575325 (E_RNA)
where:
Base-Base interactions energy: -139.747
where: short stacking energy: -75.232
Base-Backbone interact. energy: -0.011
local terms energy: -73.817731
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -18.824
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: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -201.977001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.977001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.977001 (E_RNA)
where:
Base-Base interactions energy: -127.090
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.043
local terms energy: -74.844843
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -194.804985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.804985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.804985 (E_RNA)
where:
Base-Base interactions energy: -136.255
where: short stacking energy: -48.600
Base-Backbone interact. energy: -0.180
local terms energy: -58.370386
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -190.119372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.119372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.119372 (E_RNA)
where:
Base-Base interactions energy: -122.680
where: short stacking energy: -55.995
Base-Backbone interact. energy: -0.059
local terms energy: -67.380496
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -176.952576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.952576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.952576 (E_RNA)
where:
Base-Base interactions energy: -112.601
where: short stacking energy: -46.604
Base-Backbone interact. energy: 0.897
local terms energy: -65.248659
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -12.442
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: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -95.078293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.078293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.078293 (E_RNA)
where:
Base-Base interactions energy: -45.712
where: short stacking energy: -25.981
Base-Backbone interact. energy: -0.101
local terms energy: -49.266062
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -81.495111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.495111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.495111 (E_RNA)
where:
Base-Base interactions energy: -34.022
where: short stacking energy: -25.973
Base-Backbone interact. energy: -0.275
local terms energy: -47.198625
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -85.197131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.197131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.197131 (E_RNA)
where:
Base-Base interactions energy: -38.079
where: short stacking energy: -34.549
Base-Backbone interact. energy: 2.578
local terms energy: -49.695966
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -83.655807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.655807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.655807 (E_RNA)
where:
Base-Base interactions energy: -30.908
where: short stacking energy: -29.408
Base-Backbone interact. energy: -0.335
local terms energy: -52.412921
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -4.929
tors. eta vs tors. theta energy: -5.970
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: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -235.563768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.563768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.563768 (E_RNA)
where:
Base-Base interactions energy: -154.499
where: short stacking energy: -74.867
Base-Backbone interact. energy: -0.001
local terms energy: -81.063804
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -12.744
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: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -199.753865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.753865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.753865 (E_RNA)
where:
Base-Base interactions energy: -129.252
where: short stacking energy: -64.764
Base-Backbone interact. energy: -0.111
local terms energy: -70.390575
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -203.267704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.267704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.267704 (E_RNA)
where:
Base-Base interactions energy: -130.321
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.732
local terms energy: -72.214548
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -16.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -194.900031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.900031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.900031 (E_RNA)
where:
Base-Base interactions energy: -124.105
where: short stacking energy: -66.887
Base-Backbone interact. energy: 0.217
local terms energy: -71.011387
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -6.709
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: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -184.985536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.985536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.985536 (E_RNA)
where:
Base-Base interactions energy: -118.912
where: short stacking energy: -43.839
Base-Backbone interact. energy: -0.076
local terms energy: -65.997086
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -177.946342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.946342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.946342 (E_RNA)
where:
Base-Base interactions energy: -110.815
where: short stacking energy: -46.240
Base-Backbone interact. energy: -0.059
local terms energy: -67.072724
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -10.625
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: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -87.331226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.331226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.331226 (E_RNA)
where:
Base-Base interactions energy: -41.660
where: short stacking energy: -22.062
Base-Backbone interact. energy: -0.294
local terms energy: -45.377496
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: 1.823
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: 8, replica: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -85.370343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.370343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.370343 (E_RNA)
where:
Base-Base interactions energy: -34.977
where: short stacking energy: -34.977
Base-Backbone interact. energy: -0.060
local terms energy: -50.333974
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -6.491
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: 379
Temperature: 1.300000
Total energy: -77.067597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.067597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.067597 (E_RNA)
where:
Base-Base interactions energy: -36.937
where: short stacking energy: -32.760
Base-Backbone interact. energy: 0.257
local terms energy: -40.387347
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -77.468979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.468979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.468979 (E_RNA)
where:
Base-Base interactions energy: -25.113
where: short stacking energy: -16.343
Base-Backbone interact. energy: 0.011
local terms energy: -52.367535
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: 1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -229.197714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.197714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.197714 (E_RNA)
where:
Base-Base interactions energy: -152.176
where: short stacking energy: -75.792
Base-Backbone interact. energy: -0.157
local terms energy: -76.864062
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -204.809051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.809051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.809051 (E_RNA)
where:
Base-Base interactions energy: -128.779
where: short stacking energy: -69.514
Base-Backbone interact. energy: -0.830
local terms energy: -75.200046
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -204.359842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.359842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.359842 (E_RNA)
where:
Base-Base interactions energy: -126.060
where: short stacking energy: -58.292
Base-Backbone interact. energy: -0.007
local terms energy: -78.292875
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -197.108324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.108324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.108324 (E_RNA)
where:
Base-Base interactions energy: -121.343
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.018
local terms energy: -75.747890
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -185.897245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.897245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.897245 (E_RNA)
where:
Base-Base interactions energy: -116.161
where: short stacking energy: -51.349
Base-Backbone interact. energy: -0.040
local terms energy: -69.696480
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -176.827735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.827735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.827735 (E_RNA)
where:
Base-Base interactions energy: -122.884
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.120
local terms energy: -53.823874
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -9.934
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -95.734828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.734828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.734828 (E_RNA)
where:
Base-Base interactions energy: -41.797
where: short stacking energy: -35.020
Base-Backbone interact. energy: -0.182
local terms energy: -53.755958
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -100.032788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.032788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.032788 (E_RNA)
where:
Base-Base interactions energy: -51.130
where: short stacking energy: -34.164
Base-Backbone interact. energy: 3.787
local terms energy: -52.690119
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -7.388
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: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -82.337878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.337878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.337878 (E_RNA)
where:
Base-Base interactions energy: -35.146
where: short stacking energy: -31.605
Base-Backbone interact. energy: 1.389
local terms energy: -48.580420
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -10.263
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: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -92.754539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.754539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.754539 (E_RNA)
where:
Base-Base interactions energy: -59.491
where: short stacking energy: -38.321
Base-Backbone interact. energy: -0.384
local terms energy: -32.879777
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -8.307
flat angles P-C4'-P energy: 1.039
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -226.699683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.699683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.699683 (E_RNA)
where:
Base-Base interactions energy: -150.514
where: short stacking energy: -73.172
Base-Backbone interact. energy: 0.167
local terms energy: -76.352266
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -9.748
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: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -226.519796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.519796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.519796 (E_RNA)
where:
Base-Base interactions energy: -151.603
where: short stacking energy: -71.260
Base-Backbone interact. energy: 0.253
local terms energy: -75.169606
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -187.904211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.904211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.904211 (E_RNA)
where:
Base-Base interactions energy: -118.116
where: short stacking energy: -54.160
Base-Backbone interact. energy: -1.846
local terms energy: -67.942542
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -189.112027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.112027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.112027 (E_RNA)
where:
Base-Base interactions energy: -121.687
where: short stacking energy: -56.491
Base-Backbone interact. energy: 0.186
local terms energy: -67.611221
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -187.966990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.966990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.966990 (E_RNA)
where:
Base-Base interactions energy: -125.246
where: short stacking energy: -60.248
Base-Backbone interact. energy: -0.843
local terms energy: -61.878434
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -12.906
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: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -170.274520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.274520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.274520 (E_RNA)
where:
Base-Base interactions energy: -110.731
where: short stacking energy: -48.084
Base-Backbone interact. energy: -0.296
local terms energy: -59.248395
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -9.555
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: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -111.107011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.107011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.107011 (E_RNA)
where:
Base-Base interactions energy: -49.269
where: short stacking energy: -37.905
Base-Backbone interact. energy: -0.026
local terms energy: -61.811182
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -97.239330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.239330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.239330 (E_RNA)
where:
Base-Base interactions energy: -43.491
where: short stacking energy: -27.247
Base-Backbone interact. energy: -0.171
local terms energy: -53.577510
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -90.296261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.296261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.296261 (E_RNA)
where:
Base-Base interactions energy: -49.960
where: short stacking energy: -24.833
Base-Backbone interact. energy: -0.188
local terms energy: -40.148541
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: 0.041
tors. eta vs tors. theta energy: 0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -82.244284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.244284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.244284 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -18.563
Base-Backbone interact. energy: -0.417
local terms energy: -51.950660
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -219.701398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.701398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.701398 (E_RNA)
where:
Base-Base interactions energy: -143.904
where: short stacking energy: -67.033
Base-Backbone interact. energy: -0.062
local terms energy: -75.735478
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -12.131
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: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -212.987745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.987745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.987745 (E_RNA)
where:
Base-Base interactions energy: -138.713
where: short stacking energy: -76.920
Base-Backbone interact. energy: -0.003
local terms energy: -74.272375
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -202.767107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.767107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.767107 (E_RNA)
where:
Base-Base interactions energy: -130.028
where: short stacking energy: -60.232
Base-Backbone interact. energy: 0.864
local terms energy: -73.602580
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -16.156
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: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -191.042767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.042767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.042767 (E_RNA)
where:
Base-Base interactions energy: -121.728
where: short stacking energy: -61.737
Base-Backbone interact. energy: -0.156
local terms energy: -69.158744
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -8.025
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: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -181.611696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.611696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.611696 (E_RNA)
where:
Base-Base interactions energy: -116.711
where: short stacking energy: -47.932
Base-Backbone interact. energy: -0.199
local terms energy: -64.701538
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -183.900978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.900978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.900978 (E_RNA)
where:
Base-Base interactions energy: -115.132
where: short stacking energy: -51.943
Base-Backbone interact. energy: -0.112
local terms energy: -68.657334
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -100.406830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.406830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.406830 (E_RNA)
where:
Base-Base interactions energy: -42.834
where: short stacking energy: -32.982
Base-Backbone interact. energy: -0.830
local terms energy: -56.743047
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -90.255004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.255004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.255004 (E_RNA)
where:
Base-Base interactions energy: -41.049
where: short stacking energy: -26.982
Base-Backbone interact. energy: -0.274
local terms energy: -48.931797
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -132.884041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.884041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.884041 (E_RNA)
where:
Base-Base interactions energy: -75.045
where: short stacking energy: -31.633
Base-Backbone interact. energy: -0.301
local terms energy: -57.537802
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -9.235
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -8.234
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: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -79.354292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.354292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.354292 (E_RNA)
where:
Base-Base interactions energy: -31.385
where: short stacking energy: -31.385
Base-Backbone interact. energy: 0.661
local terms energy: -48.629704
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -2.864
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: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -221.855498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.855498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.855498 (E_RNA)
where:
Base-Base interactions energy: -149.249
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.096
local terms energy: -72.510250
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -217.561316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.561316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.561316 (E_RNA)
where:
Base-Base interactions energy: -141.286
where: short stacking energy: -75.145
Base-Backbone interact. energy: -0.024
local terms energy: -76.251225
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -199.366254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.366254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.366254 (E_RNA)
where:
Base-Base interactions energy: -128.950
where: short stacking energy: -61.177
Base-Backbone interact. energy: -0.746
local terms energy: -69.670672
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -14.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -195.106796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.106796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.106796 (E_RNA)
where:
Base-Base interactions energy: -127.655
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.001
local terms energy: -67.450669
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -178.931624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.931624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.931624 (E_RNA)
where:
Base-Base interactions energy: -116.738
where: short stacking energy: -57.125
Base-Backbone interact. energy: -0.198
local terms energy: -61.994994
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -179.177408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.177408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.177408 (E_RNA)
where:
Base-Base interactions energy: -113.812
where: short stacking energy: -57.028
Base-Backbone interact. energy: -0.241
local terms energy: -65.123851
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -95.237124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.237124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.237124 (E_RNA)
where:
Base-Base interactions energy: -41.574
where: short stacking energy: -18.303
Base-Backbone interact. energy: -1.264
local terms energy: -52.399324
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: 2.257
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: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -98.931501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.931501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.931501 (E_RNA)
where:
Base-Base interactions energy: -47.709
where: short stacking energy: -34.456
Base-Backbone interact. energy: -0.200
local terms energy: -51.022667
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -8.526
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -86.122620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.122620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.122620 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -13.740
Base-Backbone interact. energy: -0.070
local terms energy: -53.265441
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -2.464
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: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -98.301693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.301693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.301693 (E_RNA)
where:
Base-Base interactions energy: -46.319
where: short stacking energy: -46.319
Base-Backbone interact. energy: -0.042
local terms energy: -51.940778
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -220.300767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.300767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.300767 (E_RNA)
where:
Base-Base interactions energy: -145.495
where: short stacking energy: -62.741
Base-Backbone interact. energy: -0.610
local terms energy: -74.195219
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -222.651676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.651676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.651676 (E_RNA)
where:
Base-Base interactions energy: -151.634
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.146
local terms energy: -70.871993
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -19.982
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: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -206.102147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.102147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.102147 (E_RNA)
where:
Base-Base interactions energy: -130.515
where: short stacking energy: -54.431
Base-Backbone interact. energy: -0.002
local terms energy: -75.585306
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -10.228
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: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -206.666306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.666306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.666306 (E_RNA)
where:
Base-Base interactions energy: -133.143
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.073
local terms energy: -73.450421
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -19.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -180.778063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.778063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.778063 (E_RNA)
where:
Base-Base interactions energy: -126.629
where: short stacking energy: -60.670
Base-Backbone interact. energy: -1.023
local terms energy: -53.126040
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -3.891
tors. eta vs tors. theta energy: -12.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -173.942225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.942225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.942225 (E_RNA)
where:
Base-Base interactions energy: -114.569
where: short stacking energy: -42.069
Base-Backbone interact. energy: 0.147
local terms energy: -59.520056
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -10.625
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: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -100.039613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.039613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.039613 (E_RNA)
where:
Base-Base interactions energy: -42.134
where: short stacking energy: -33.395
Base-Backbone interact. energy: -0.029
local terms energy: -57.876468
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -8.329
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: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -86.306173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.306173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.306173 (E_RNA)
where:
Base-Base interactions energy: -33.341
where: short stacking energy: -33.341
Base-Backbone interact. energy: -0.118
local terms energy: -52.847061
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -80.247178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.247178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.247178 (E_RNA)
where:
Base-Base interactions energy: -34.166
where: short stacking energy: -20.138
Base-Backbone interact. energy: -0.744
local terms energy: -45.337113
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -86.502044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.502044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.502044 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -27.229
Base-Backbone interact. energy: -0.088
local terms energy: -52.712162
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -4.852
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: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -234.658656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.658656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.658656 (E_RNA)
where:
Base-Base interactions energy: -153.500
where: short stacking energy: -74.150
Base-Backbone interact. energy: -0.020
local terms energy: -81.138731
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -9.766
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: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -225.443363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.443363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.443363 (E_RNA)
where:
Base-Base interactions energy: -150.170
where: short stacking energy: -69.879
Base-Backbone interact. energy: 0.140
local terms energy: -75.413495
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -207.932515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.932515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.932515 (E_RNA)
where:
Base-Base interactions energy: -138.534
where: short stacking energy: -67.054
Base-Backbone interact. energy: -0.001
local terms energy: -69.398112
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -188.610500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.610500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.610500 (E_RNA)
where:
Base-Base interactions energy: -123.972
where: short stacking energy: -67.776
Base-Backbone interact. energy: -0.022
local terms energy: -64.615580
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -16.817
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: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -185.844012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.844012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.844012 (E_RNA)
where:
Base-Base interactions energy: -126.058
where: short stacking energy: -50.531
Base-Backbone interact. energy: -0.316
local terms energy: -59.469742
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -185.465652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.465652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.465652 (E_RNA)
where:
Base-Base interactions energy: -125.209
where: short stacking energy: -53.695
Base-Backbone interact. energy: -0.151
local terms energy: -60.105250
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -94.835753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.835753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.835753 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -41.415
Base-Backbone interact. energy: -0.131
local terms energy: -52.506373
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -87.340795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.340795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.340795 (E_RNA)
where:
Base-Base interactions energy: -28.150
where: short stacking energy: -26.417
Base-Backbone interact. energy: -0.418
local terms energy: -58.772988
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -7.859
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: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -78.422412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.422412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.422412 (E_RNA)
where:
Base-Base interactions energy: -34.189
where: short stacking energy: -31.889
Base-Backbone interact. energy: -0.089
local terms energy: -44.144302
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -6.911
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -75.762181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.762181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.762181 (E_RNA)
where:
Base-Base interactions energy: -29.596
where: short stacking energy: -15.474
Base-Backbone interact. energy: -0.111
local terms energy: -46.054958
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -5.737
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: 386
Temperature: 0.900000
Total energy: -233.728312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.728312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.728312 (E_RNA)
where:
Base-Base interactions energy: -150.342
where: short stacking energy: -74.365
Base-Backbone interact. energy: -0.002
local terms energy: -83.385078
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -220.462266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.462266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.462266 (E_RNA)
where:
Base-Base interactions energy: -146.831
where: short stacking energy: -70.071
Base-Backbone interact. energy: -0.008
local terms energy: -73.623480
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -19.981
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: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -210.026908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.026908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.026908 (E_RNA)
where:
Base-Base interactions energy: -132.119
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.008
local terms energy: -77.899902
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -200.706243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.706243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.706243 (E_RNA)
where:
Base-Base interactions energy: -136.174
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.019
local terms energy: -64.512692
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -13.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -185.792576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.792576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.792576 (E_RNA)
where:
Base-Base interactions energy: -119.209
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.133
local terms energy: -66.449639
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -184.553244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.553244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.553244 (E_RNA)
where:
Base-Base interactions energy: -121.879
where: short stacking energy: -44.629
Base-Backbone interact. energy: -0.310
local terms energy: -62.363711
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -10.409
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: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -103.778919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.778919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.778919 (E_RNA)
where:
Base-Base interactions energy: -44.473
where: short stacking energy: -34.115
Base-Backbone interact. energy: 1.472
local terms energy: -60.777991
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -8.057
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: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -108.125194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.125194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.125194 (E_RNA)
where:
Base-Base interactions energy: -59.497
where: short stacking energy: -31.794
Base-Backbone interact. energy: -0.374
local terms energy: -48.254188
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -87.460449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.460449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.460449 (E_RNA)
where:
Base-Base interactions energy: -33.541
where: short stacking energy: -30.030
Base-Backbone interact. energy: -0.332
local terms energy: -53.587352
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -4.142
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: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -88.928634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.928634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.928634 (E_RNA)
where:
Base-Base interactions energy: -46.105
where: short stacking energy: -31.491
Base-Backbone interact. energy: 0.061
local terms energy: -42.884840
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -230.660877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.660877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.660877 (E_RNA)
where:
Base-Base interactions energy: -156.295
where: short stacking energy: -83.045
Base-Backbone interact. energy: -0.574
local terms energy: -73.791090
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.659
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: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -209.888374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.888374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.888374 (E_RNA)
where:
Base-Base interactions energy: -135.046
where: short stacking energy: -63.590
Base-Backbone interact. energy: -0.324
local terms energy: -74.518934
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -220.090330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.090330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.090330 (E_RNA)
where:
Base-Base interactions energy: -151.148
where: short stacking energy: -71.346
Base-Backbone interact. energy: -0.115
local terms energy: -68.827469
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -9.617
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -193.923738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.923738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.923738 (E_RNA)
where:
Base-Base interactions energy: -122.595
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.022
local terms energy: -71.306922
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -16.025
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: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -189.139700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.139700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.139700 (E_RNA)
where:
Base-Base interactions energy: -117.371
where: short stacking energy: -59.503
Base-Backbone interact. energy: -0.010
local terms energy: -71.758623
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -200.670759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.670759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.670759 (E_RNA)
where:
Base-Base interactions energy: -140.326
where: short stacking energy: -55.482
Base-Backbone interact. energy: -0.232
local terms energy: -60.112488
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -88.010861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.010861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.010861 (E_RNA)
where:
Base-Base interactions energy: -38.317
where: short stacking energy: -38.317
Base-Backbone interact. energy: 0.623
local terms energy: -50.316476
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -5.317
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: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -87.653985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.653985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.653985 (E_RNA)
where:
Base-Base interactions energy: -42.528
where: short stacking energy: -25.464
Base-Backbone interact. energy: 0.151
local terms energy: -45.276214
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -8.688
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: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -95.703487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.703487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.703487 (E_RNA)
where:
Base-Base interactions energy: -40.756
where: short stacking energy: -25.862
Base-Backbone interact. energy: -1.209
local terms energy: -53.738578
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -2.071
tors. eta vs tors. theta energy: -5.060
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: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -99.267360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.267360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.267360 (E_RNA)
where:
Base-Base interactions energy: -47.190
where: short stacking energy: -21.277
Base-Backbone interact. energy: -0.148
local terms energy: -51.929564
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -230.252535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.252535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.252535 (E_RNA)
where:
Base-Base interactions energy: -153.078
where: short stacking energy: -77.994
Base-Backbone interact. energy: -0.001
local terms energy: -77.173248
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -13.222
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: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -208.777903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.777903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.777903 (E_RNA)
where:
Base-Base interactions energy: -138.089
where: short stacking energy: -54.091
Base-Backbone interact. energy: -0.562
local terms energy: -70.126886
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -17.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -227.051425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.051425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.051425 (E_RNA)
where:
Base-Base interactions energy: -151.320
where: short stacking energy: -69.099
Base-Backbone interact. energy: -0.010
local terms energy: -75.720582
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -204.577894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.577894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.577894 (E_RNA)
where:
Base-Base interactions energy: -140.601
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.022
local terms energy: -63.955390
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -178.907826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.907826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.907826 (E_RNA)
where:
Base-Base interactions energy: -121.331
where: short stacking energy: -60.148
Base-Backbone interact. energy: -1.149
local terms energy: -56.427369
where:
bonds (distance) C4'-P energy: -7.986
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -174.597680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.597680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.597680 (E_RNA)
where:
Base-Base interactions energy: -113.313
where: short stacking energy: -55.013
Base-Backbone interact. energy: -0.148
local terms energy: -61.135822
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -100.837994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.837994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.837994 (E_RNA)
where:
Base-Base interactions energy: -41.965
where: short stacking energy: -29.931
Base-Backbone interact. energy: -0.235
local terms energy: -58.638675
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -0.992
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: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -84.397601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.397601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.397601 (E_RNA)
where:
Base-Base interactions energy: -50.227
where: short stacking energy: -30.551
Base-Backbone interact. energy: -0.406
local terms energy: -33.763964
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -1.307
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -99.220273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.220273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.220273 (E_RNA)
where:
Base-Base interactions energy: -45.812
where: short stacking energy: -39.336
Base-Backbone interact. energy: -0.147
local terms energy: -53.260539
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -5.779
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: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -76.512614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.512614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.512614 (E_RNA)
where:
Base-Base interactions energy: -30.738
where: short stacking energy: -30.681
Base-Backbone interact. energy: -0.101
local terms energy: -45.673186
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -1.474
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -230.466487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.466487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.466487 (E_RNA)
where:
Base-Base interactions energy: -155.142
where: short stacking energy: -77.256
Base-Backbone interact. energy: -0.008
local terms energy: -75.316616
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -20.639
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: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -224.375427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.375427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.375427 (E_RNA)
where:
Base-Base interactions energy: -151.739
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.004
local terms energy: -72.633047
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -202.950229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.950229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.950229 (E_RNA)
where:
Base-Base interactions energy: -135.541
where: short stacking energy: -48.524
Base-Backbone interact. energy: -0.232
local terms energy: -67.176712
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -1.729
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -199.035224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.035224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.035224 (E_RNA)
where:
Base-Base interactions energy: -125.019
where: short stacking energy: -61.421
Base-Backbone interact. energy: -0.001
local terms energy: -74.015993
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -181.330946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.330946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.330946 (E_RNA)
where:
Base-Base interactions energy: -117.255
where: short stacking energy: -53.437
Base-Backbone interact. energy: -0.038
local terms energy: -64.038151
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -170.045839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.045839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.045839 (E_RNA)
where:
Base-Base interactions energy: -115.779
where: short stacking energy: -46.073
Base-Backbone interact. energy: -0.102
local terms energy: -54.164420
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -11.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -96.784050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.784050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.784050 (E_RNA)
where:
Base-Base interactions energy: -51.532
where: short stacking energy: -29.889
Base-Backbone interact. energy: -0.627
local terms energy: -44.625591
where:
bonds (distance) C4'-P energy: -7.143
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -4.840
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: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -90.412692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.412692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.412692 (E_RNA)
where:
Base-Base interactions energy: -47.388
where: short stacking energy: -25.883
Base-Backbone interact. energy: -0.288
local terms energy: -42.736278
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -3.516
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -116.105316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.105316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.105316 (E_RNA)
where:
Base-Base interactions energy: -59.053
where: short stacking energy: -28.606
Base-Backbone interact. energy: -0.460
local terms energy: -56.592573
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -73.692042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.692042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.692042 (E_RNA)
where:
Base-Base interactions energy: -23.405
where: short stacking energy: -18.245
Base-Backbone interact. energy: -0.276
local terms energy: -50.011563
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: 5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -237.027169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.027169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.027169 (E_RNA)
where:
Base-Base interactions energy: -157.175
where: short stacking energy: -78.505
Base-Backbone interact. energy: -0.289
local terms energy: -79.563587
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -11.950
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: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -221.367474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.367474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.367474 (E_RNA)
where:
Base-Base interactions energy: -148.789
where: short stacking energy: -67.705
Base-Backbone interact. energy: -0.123
local terms energy: -72.455528
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -197.664305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.664305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.664305 (E_RNA)
where:
Base-Base interactions energy: -126.659
where: short stacking energy: -66.711
Base-Backbone interact. energy: 0.990
local terms energy: -71.995754
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -198.454238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.454238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.454238 (E_RNA)
where:
Base-Base interactions energy: -135.630
where: short stacking energy: -61.229
Base-Backbone interact. energy: -0.151
local terms energy: -62.674205
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -185.569280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.569280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.569280 (E_RNA)
where:
Base-Base interactions energy: -118.239
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.600
local terms energy: -66.730640
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -174.777202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.777202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.777202 (E_RNA)
where:
Base-Base interactions energy: -111.600
where: short stacking energy: -51.141
Base-Backbone interact. energy: -0.733
local terms energy: -62.444494
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -13.547
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: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -98.031670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.031670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.031670 (E_RNA)
where:
Base-Base interactions energy: -54.493
where: short stacking energy: -31.691
Base-Backbone interact. energy: -0.124
local terms energy: -43.415423
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -9.356
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -6.785
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: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -90.325589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.325589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.325589 (E_RNA)
where:
Base-Base interactions energy: -34.889
where: short stacking energy: -28.778
Base-Backbone interact. energy: 0.208
local terms energy: -55.645107
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -3.787
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: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -116.391390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.391390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.391390 (E_RNA)
where:
Base-Base interactions energy: -73.959
where: short stacking energy: -30.312
Base-Backbone interact. energy: -0.637
local terms energy: -41.795508
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -0.395
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -83.920840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.920840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.920840 (E_RNA)
where:
Base-Base interactions energy: -32.664
where: short stacking energy: -17.897
Base-Backbone interact. energy: -0.335
local terms energy: -50.922272
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -232.041030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.041030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.041030 (E_RNA)
where:
Base-Base interactions energy: -150.906
where: short stacking energy: -74.719
Base-Backbone interact. energy: -0.000
local terms energy: -81.134521
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -11.865
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: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -223.403816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.403816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.403816 (E_RNA)
where:
Base-Base interactions energy: -143.510
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.002
local terms energy: -79.892717
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -192.669602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.669602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.669602 (E_RNA)
where:
Base-Base interactions energy: -128.657
where: short stacking energy: -53.411
Base-Backbone interact. energy: -0.013
local terms energy: -63.999892
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -7.050
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: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -202.645100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645100 (E_RNA)
where:
Base-Base interactions energy: -135.207
where: short stacking energy: -59.456
Base-Backbone interact. energy: -0.668
local terms energy: -66.769784
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -190.926632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.926632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.926632 (E_RNA)
where:
Base-Base interactions energy: -125.945
where: short stacking energy: -69.542
Base-Backbone interact. energy: -0.006
local terms energy: -64.975448
where:
bonds (distance) C4'-P energy: -8.229
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -180.942117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.942117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.942117 (E_RNA)
where:
Base-Base interactions energy: -115.052
where: short stacking energy: -57.544
Base-Backbone interact. energy: -0.640
local terms energy: -65.249982
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -94.455887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.455887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.455887 (E_RNA)
where:
Base-Base interactions energy: -42.917
where: short stacking energy: -41.405
Base-Backbone interact. energy: -0.118
local terms energy: -51.420781
where:
bonds (distance) C4'-P energy: -9.844
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -7.990
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: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -85.740140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.740140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.740140 (E_RNA)
where:
Base-Base interactions energy: -34.339
where: short stacking energy: -26.083
Base-Backbone interact. energy: -0.250
local terms energy: -51.151363
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -88.805933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.805933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.805933 (E_RNA)
where:
Base-Base interactions energy: -38.400
where: short stacking energy: -34.263
Base-Backbone interact. energy: -0.239
local terms energy: -50.167352
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -79.516265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.516265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.516265 (E_RNA)
where:
Base-Base interactions energy: -25.221
where: short stacking energy: -23.040
Base-Backbone interact. energy: -0.105
local terms energy: -54.189878
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -230.189871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.189871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.189871 (E_RNA)
where:
Base-Base interactions energy: -152.755
where: short stacking energy: -72.132
Base-Backbone interact. energy: -0.186
local terms energy: -77.248844
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -229.911697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911697 (E_RNA)
where:
Base-Base interactions energy: -151.134
where: short stacking energy: -73.400
Base-Backbone interact. energy: -0.155
local terms energy: -78.623484
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -22.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -196.352738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.352738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.352738 (E_RNA)
where:
Base-Base interactions energy: -129.650
where: short stacking energy: -60.085
Base-Backbone interact. energy: -0.161
local terms energy: -66.541911
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -192.930899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.930899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.930899 (E_RNA)
where:
Base-Base interactions energy: -128.725
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.514
local terms energy: -63.691842
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -181.450872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.450872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.450872 (E_RNA)
where:
Base-Base interactions energy: -117.374
where: short stacking energy: -50.790
Base-Backbone interact. energy: -0.643
local terms energy: -63.433443
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -7.763
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: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -190.811704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.811704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.811704 (E_RNA)
where:
Base-Base interactions energy: -121.407
where: short stacking energy: -61.364
Base-Backbone interact. energy: -0.027
local terms energy: -69.377790
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -18.266
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: 392
Temperature: 1.200000
Total energy: -98.809100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.809100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.809100 (E_RNA)
where:
Base-Base interactions energy: -51.181
where: short stacking energy: -36.606
Base-Backbone interact. energy: -0.468
local terms energy: -47.160167
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -85.748813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.748813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.748813 (E_RNA)
where:
Base-Base interactions energy: -31.030
where: short stacking energy: -31.030
Base-Backbone interact. energy: 0.279
local terms energy: -54.997910
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -81.936836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.936836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.936836 (E_RNA)
where:
Base-Base interactions energy: -33.731
where: short stacking energy: -33.731
Base-Backbone interact. energy: -0.067
local terms energy: -48.138097
where:
bonds (distance) C4'-P energy: -7.068
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -77.755672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.755672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.755672 (E_RNA)
where:
Base-Base interactions energy: -26.161
where: short stacking energy: -25.788
Base-Backbone interact. energy: -0.164
local terms energy: -51.430159
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -232.211719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.211719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.211719 (E_RNA)
where:
Base-Base interactions energy: -158.743
where: short stacking energy: -74.987
Base-Backbone interact. energy: -0.149
local terms energy: -73.319811
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -225.694865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.694865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.694865 (E_RNA)
where:
Base-Base interactions energy: -145.560
where: short stacking energy: -68.618
Base-Backbone interact. energy: -0.010
local terms energy: -80.124838
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -19.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -195.489391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.489391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.489391 (E_RNA)
where:
Base-Base interactions energy: -123.230
where: short stacking energy: -60.691
Base-Backbone interact. energy: -0.022
local terms energy: -72.237059
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -186.170473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.170473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.170473 (E_RNA)
where:
Base-Base interactions energy: -112.935
where: short stacking energy: -57.586
Base-Backbone interact. energy: -0.677
local terms energy: -72.557944
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -185.343143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.343143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.343143 (E_RNA)
where:
Base-Base interactions energy: -118.286
where: short stacking energy: -54.232
Base-Backbone interact. energy: -0.596
local terms energy: -66.460882
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -9.504
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: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -185.002716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.002716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.002716 (E_RNA)
where:
Base-Base interactions energy: -120.968
where: short stacking energy: -51.183
Base-Backbone interact. energy: 0.349
local terms energy: -64.383383
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -98.204174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.204174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.204174 (E_RNA)
where:
Base-Base interactions energy: -46.994
where: short stacking energy: -38.013
Base-Backbone interact. energy: -0.107
local terms energy: -51.103356
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -7.537
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -88.892249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.892249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.892249 (E_RNA)
where:
Base-Base interactions energy: -37.379
where: short stacking energy: -32.242
Base-Backbone interact. energy: -0.416
local terms energy: -51.097858
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -79.047623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.047623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.047623 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -31.291
Base-Backbone interact. energy: -0.109
local terms energy: -46.976048
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -91.110909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.110909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.110909 (E_RNA)
where:
Base-Base interactions energy: -34.611
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.319
local terms energy: -56.180401
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -231.234890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.234890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.234890 (E_RNA)
where:
Base-Base interactions energy: -150.246
where: short stacking energy: -68.533
Base-Backbone interact. energy: -0.880
local terms energy: -80.108111
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -20.344
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: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -228.479741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.479741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.479741 (E_RNA)
where:
Base-Base interactions energy: -149.105
where: short stacking energy: -73.252
Base-Backbone interact. energy: -0.308
local terms energy: -79.066532
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -10.600
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: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -191.980617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.980617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.980617 (E_RNA)
where:
Base-Base interactions energy: -120.221
where: short stacking energy: -60.310
Base-Backbone interact. energy: -0.597
local terms energy: -71.162098
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -183.619171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.619171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.619171 (E_RNA)
where:
Base-Base interactions energy: -106.785
where: short stacking energy: -53.142
Base-Backbone interact. energy: -0.966
local terms energy: -75.867803
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -190.762604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.762604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.762604 (E_RNA)
where:
Base-Base interactions energy: -124.500
where: short stacking energy: -53.947
Base-Backbone interact. energy: -0.051
local terms energy: -66.210863
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -9.846
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: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -188.782791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.782791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.782791 (E_RNA)
where:
Base-Base interactions energy: -125.213
where: short stacking energy: -56.711
Base-Backbone interact. energy: -0.040
local terms energy: -63.529118
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -84.924097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.924097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.924097 (E_RNA)
where:
Base-Base interactions energy: -40.062
where: short stacking energy: -26.034
Base-Backbone interact. energy: 1.600
local terms energy: -46.462109
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -3.403
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -9.421
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: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -118.742069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.742069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.742069 (E_RNA)
where:
Base-Base interactions energy: -60.730
where: short stacking energy: -34.215
Base-Backbone interact. energy: -0.934
local terms energy: -57.078584
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -4.380
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: 9, replica: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -77.641738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.641738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.641738 (E_RNA)
where:
Base-Base interactions energy: -26.613
where: short stacking energy: -26.613
Base-Backbone interact. energy: -0.267
local terms energy: -50.760844
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -88.001786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.001786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.001786 (E_RNA)
where:
Base-Base interactions energy: -38.884
where: short stacking energy: -33.875
Base-Backbone interact. energy: 0.283
local terms energy: -49.400654
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -231.736213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.736213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.736213 (E_RNA)
where:
Base-Base interactions energy: -151.468
where: short stacking energy: -73.202
Base-Backbone interact. energy: -0.002
local terms energy: -80.265827
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -19.961
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: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -226.689016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.689016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.689016 (E_RNA)
where:
Base-Base interactions energy: -149.628
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.241
local terms energy: -76.820828
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -12.964
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: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -187.337056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.337056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.337056 (E_RNA)
where:
Base-Base interactions energy: -115.491
where: short stacking energy: -49.464
Base-Backbone interact. energy: -0.367
local terms energy: -71.479430
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -193.067527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.067527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.067527 (E_RNA)
where:
Base-Base interactions energy: -129.151
where: short stacking energy: -61.909
Base-Backbone interact. energy: -0.109
local terms energy: -63.807141
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -191.138896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.138896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.138896 (E_RNA)
where:
Base-Base interactions energy: -141.606
where: short stacking energy: -56.840
Base-Backbone interact. energy: -0.566
local terms energy: -48.966627
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -5.645
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -13.940
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: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -184.117826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.117826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.117826 (E_RNA)
where:
Base-Base interactions energy: -119.638
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.527
local terms energy: -63.952911
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -12.054
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: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -85.273066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.273066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.273066 (E_RNA)
where:
Base-Base interactions energy: -39.202
where: short stacking energy: -31.672
Base-Backbone interact. energy: -0.167
local terms energy: -45.903678
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -10.919
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -0.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -118.481648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.481648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.481648 (E_RNA)
where:
Base-Base interactions energy: -62.992
where: short stacking energy: -30.910
Base-Backbone interact. energy: -0.288
local terms energy: -55.202190
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: 4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -98.110462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.110462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.110462 (E_RNA)
where:
Base-Base interactions energy: -43.970
where: short stacking energy: -34.669
Base-Backbone interact. energy: -0.319
local terms energy: -53.821597
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -75.910434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.910434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.910434 (E_RNA)
where:
Base-Base interactions energy: -27.063
where: short stacking energy: -25.166
Base-Backbone interact. energy: -0.173
local terms energy: -48.673926
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -229.555021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.555021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.555021 (E_RNA)
where:
Base-Base interactions energy: -153.182
where: short stacking energy: -74.600
Base-Backbone interact. energy: -0.041
local terms energy: -76.331796
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -228.118941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.118941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.118941 (E_RNA)
where:
Base-Base interactions energy: -142.028
where: short stacking energy: -69.067
Base-Backbone interact. energy: -0.058
local terms energy: -86.033441
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -200.579118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.579118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.579118 (E_RNA)
where:
Base-Base interactions energy: -134.367
where: short stacking energy: -62.137
Base-Backbone interact. energy: -0.070
local terms energy: -66.142823
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -15.068
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: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -200.156209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.156209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.156209 (E_RNA)
where:
Base-Base interactions energy: -131.920
where: short stacking energy: -58.257
Base-Backbone interact. energy: -0.223
local terms energy: -68.013034
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -12.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -189.336077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.336077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.336077 (E_RNA)
where:
Base-Base interactions energy: -127.859
where: short stacking energy: -40.727
Base-Backbone interact. energy: 1.879
local terms energy: -63.356800
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -10.266
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: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -173.429470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.429470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.429470 (E_RNA)
where:
Base-Base interactions energy: -110.677
where: short stacking energy: -46.580
Base-Backbone interact. energy: 1.109
local terms energy: -63.861500
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -133.755340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.755340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.755340 (E_RNA)
where:
Base-Base interactions energy: -73.688
where: short stacking energy: -45.455
Base-Backbone interact. energy: -0.020
local terms energy: -60.047267
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -91.666835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.666835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.666835 (E_RNA)
where:
Base-Base interactions energy: -41.300
where: short stacking energy: -31.961
Base-Backbone interact. energy: -0.688
local terms energy: -49.678050
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -92.741836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.741836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.741836 (E_RNA)
where:
Base-Base interactions energy: -49.160
where: short stacking energy: -39.737
Base-Backbone interact. energy: 1.044
local terms energy: -44.625500
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -6.041
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -86.439991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.439991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.439991 (E_RNA)
where:
Base-Base interactions energy: -42.229
where: short stacking energy: -19.198
Base-Backbone interact. energy: -0.271
local terms energy: -43.939674
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -0.984
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: 397
Temperature: 0.900000
Total energy: -227.162384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.162384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.162384 (E_RNA)
where:
Base-Base interactions energy: -148.268
where: short stacking energy: -76.327
Base-Backbone interact. energy: -0.001
local terms energy: -78.893496
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -228.079043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.079043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.079043 (E_RNA)
where:
Base-Base interactions energy: -150.282
where: short stacking energy: -70.263
Base-Backbone interact. energy: -0.041
local terms energy: -77.755844
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -19.336
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: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -197.230023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.230023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.230023 (E_RNA)
where:
Base-Base interactions energy: -131.657
where: short stacking energy: -53.346
Base-Backbone interact. energy: -1.002
local terms energy: -64.570943
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -198.045775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.045775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.045775 (E_RNA)
where:
Base-Base interactions energy: -130.008
where: short stacking energy: -67.355
Base-Backbone interact. energy: -0.004
local terms energy: -68.033856
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -14.696
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: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -187.256505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.256505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.256505 (E_RNA)
where:
Base-Base interactions energy: -126.828
where: short stacking energy: -59.641
Base-Backbone interact. energy: -0.107
local terms energy: -60.322113
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -175.201501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.201501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.201501 (E_RNA)
where:
Base-Base interactions energy: -116.836
where: short stacking energy: -58.247
Base-Backbone interact. energy: 0.376
local terms energy: -58.741238
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -15.531
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: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -176.178469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.178469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.178469 (E_RNA)
where:
Base-Base interactions energy: -111.891
where: short stacking energy: -43.954
Base-Backbone interact. energy: -0.881
local terms energy: -63.406252
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -8.696
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -87.901274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.901274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.901274 (E_RNA)
where:
Base-Base interactions energy: -37.765
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.286
local terms energy: -49.850066
where:
bonds (distance) C4'-P energy: -8.149
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -88.558276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.558276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.558276 (E_RNA)
where:
Base-Base interactions energy: -40.317
where: short stacking energy: -21.984
Base-Backbone interact. energy: -0.440
local terms energy: -47.802195
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -3.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -83.349474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.349474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.349474 (E_RNA)
where:
Base-Base interactions energy: -36.178
where: short stacking energy: -30.009
Base-Backbone interact. energy: -0.088
local terms energy: -47.083749
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -4.507
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: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -229.389765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.389765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.389765 (E_RNA)
where:
Base-Base interactions energy: -156.439
where: short stacking energy: -70.969
Base-Backbone interact. energy: -0.002
local terms energy: -72.948369
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -9.969
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: 2, replica: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -227.044578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.044578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.044578 (E_RNA)
where:
Base-Base interactions energy: -158.241
where: short stacking energy: -65.994
Base-Backbone interact. energy: -0.242
local terms energy: -68.562028
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -204.161523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.161523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.161523 (E_RNA)
where:
Base-Base interactions energy: -133.724
where: short stacking energy: -69.904
Base-Backbone interact. energy: -0.012
local terms energy: -70.425160
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -193.462759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.462759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.462759 (E_RNA)
where:
Base-Base interactions energy: -125.549
where: short stacking energy: -56.262
Base-Backbone interact. energy: -0.232
local terms energy: -67.682370
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -8.953
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: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -189.279647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.279647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.279647 (E_RNA)
where:
Base-Base interactions energy: -122.079
where: short stacking energy: -48.298
Base-Backbone interact. energy: -0.181
local terms energy: -67.020080
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -11.017
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: 398
Temperature: 1.150000
Total energy: -182.191351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.191351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.191351 (E_RNA)
where:
Base-Base interactions energy: -111.983
where: short stacking energy: -50.730
Base-Backbone interact. energy: 0.469
local terms energy: -70.676644
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -15.741
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: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -95.135624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.135624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.135624 (E_RNA)
where:
Base-Base interactions energy: -39.679
where: short stacking energy: -35.113
Base-Backbone interact. energy: -0.200
local terms energy: -55.256367
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -8.838
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: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -124.812171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.812171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.812171 (E_RNA)
where:
Base-Base interactions energy: -70.857
where: short stacking energy: -34.847
Base-Backbone interact. energy: -0.139
local terms energy: -53.815924
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -84.221047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.221047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.221047 (E_RNA)
where:
Base-Base interactions energy: -39.851
where: short stacking energy: -32.645
Base-Backbone interact. energy: -0.144
local terms energy: -44.225571
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -110.292298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.292298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.292298 (E_RNA)
where:
Base-Base interactions energy: -62.731
where: short stacking energy: -27.282
Base-Backbone interact. energy: -0.213
local terms energy: -47.348528
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -8.649
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -9.925
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: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -234.006585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.006585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.006585 (E_RNA)
where:
Base-Base interactions energy: -153.625
where: short stacking energy: -73.770
Base-Backbone interact. energy: -0.224
local terms energy: -80.158170
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -222.059384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.059384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.059384 (E_RNA)
where:
Base-Base interactions energy: -147.001
where: short stacking energy: -72.609
Base-Backbone interact. energy: -0.106
local terms energy: -74.952382
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -20.359
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: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -212.421846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.421846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.421846 (E_RNA)
where:
Base-Base interactions energy: -145.355
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.128
local terms energy: -66.938587
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -17.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -186.080458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.080458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.080458 (E_RNA)
where:
Base-Base interactions energy: -115.175
where: short stacking energy: -55.697
Base-Backbone interact. energy: -0.009
local terms energy: -70.896556
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -189.701759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.701759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.701759 (E_RNA)
where:
Base-Base interactions energy: -118.858
where: short stacking energy: -56.552
Base-Backbone interact. energy: 1.628
local terms energy: -72.471884
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -15.907
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: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -87.972295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.972295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.972295 (E_RNA)
where:
Base-Base interactions energy: -41.455
where: short stacking energy: -36.114
Base-Backbone interact. energy: 2.111
local terms energy: -48.628981
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -176.301126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.301126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.301126 (E_RNA)
where:
Base-Base interactions energy: -109.578
where: short stacking energy: -48.969
Base-Backbone interact. energy: -0.003
local terms energy: -66.720941
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -87.357148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.357148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.357148 (E_RNA)
where:
Base-Base interactions energy: -34.629
where: short stacking energy: -24.235
Base-Backbone interact. energy: 0.935
local terms energy: -53.662690
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -3.032
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: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -120.138027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.138027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.138027 (E_RNA)
where:
Base-Base interactions energy: -68.076
where: short stacking energy: -37.673
Base-Backbone interact. energy: 1.884
local terms energy: -53.945781
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -87.508778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.508778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.508778 (E_RNA)
where:
Base-Base interactions energy: -35.957
where: short stacking energy: -37.072
Base-Backbone interact. energy: -0.259
local terms energy: -51.292744
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -231.862965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.862965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.862965 (E_RNA)
where:
Base-Base interactions energy: -154.102
where: short stacking energy: -72.131
Base-Backbone interact. energy: -0.001
local terms energy: -77.760428
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -226.024538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.024538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.024538 (E_RNA)
where:
Base-Base interactions energy: -148.262
where: short stacking energy: -69.325
Base-Backbone interact. energy: -0.057
local terms energy: -77.706216
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -195.748633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.748633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.748633 (E_RNA)
where:
Base-Base interactions energy: -130.116
where: short stacking energy: -56.929
Base-Backbone interact. energy: -0.026
local terms energy: -65.606817
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -191.138378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.138378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.138378 (E_RNA)
where:
Base-Base interactions energy: -126.195
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.171
local terms energy: -64.772176
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -142.018678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.018678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.018678 (E_RNA)
where:
Base-Base interactions energy: -77.758
where: short stacking energy: -42.972
Base-Backbone interact. energy: -0.438
local terms energy: -63.822870
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -190.884206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.884206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.884206 (E_RNA)
where:
Base-Base interactions energy: -125.082
where: short stacking energy: -61.830
Base-Backbone interact. energy: 0.861
local terms energy: -66.663389
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -179.818796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.818796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.818796 (E_RNA)
where:
Base-Base interactions energy: -125.274
where: short stacking energy: -55.659
Base-Backbone interact. energy: -0.098
local terms energy: -54.446685
where:
bonds (distance) C4'-P energy: -6.023
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -85.276573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.276573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.276573 (E_RNA)
where:
Base-Base interactions energy: -32.902
where: short stacking energy: -17.052
Base-Backbone interact. energy: -0.121
local terms energy: -52.253581
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -147.247628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.247628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.247628 (E_RNA)
where:
Base-Base interactions energy: -95.376
where: short stacking energy: -46.744
Base-Backbone interact. energy: -0.350
local terms energy: -51.521858
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -76.780306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.780306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.780306 (E_RNA)
where:
Base-Base interactions energy: -34.485
where: short stacking energy: -15.598
Base-Backbone interact. energy: -0.224
local terms energy: -42.070898
where:
bonds (distance) C4'-P energy: -6.582
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -228.995732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.995732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.995732 (E_RNA)
where:
Base-Base interactions energy: -151.271
where: short stacking energy: -76.399
Base-Backbone interact. energy: -0.290
local terms energy: -77.434781
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -23.570
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: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -222.780343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.780343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.780343 (E_RNA)
where:
Base-Base interactions energy: -144.893
where: short stacking energy: -71.371
Base-Backbone interact. energy: -0.002
local terms energy: -77.885560
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -197.424654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.424654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.424654 (E_RNA)
where:
Base-Base interactions energy: -139.317
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.178
local terms energy: -57.929176
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -12.834
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: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -180.204209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.204209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.204209 (E_RNA)
where:
Base-Base interactions energy: -119.879
where: short stacking energy: -50.509
Base-Backbone interact. energy: 0.669
local terms energy: -60.994016
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -9.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -137.936963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.936963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.936963 (E_RNA)
where:
Base-Base interactions energy: -75.970
where: short stacking energy: -40.477
Base-Backbone interact. energy: -0.965
local terms energy: -61.002518
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -168.589648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.589648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.589648 (E_RNA)
where:
Base-Base interactions energy: -114.197
where: short stacking energy: -40.579
Base-Backbone interact. energy: -0.546
local terms energy: -53.846478
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -8.153
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: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -180.534904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.534904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.534904 (E_RNA)
where:
Base-Base interactions energy: -122.953
where: short stacking energy: -57.487
Base-Backbone interact. energy: -0.017
local terms energy: -57.564579
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -4.121
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -149.395423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.395423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.395423 (E_RNA)
where:
Base-Base interactions energy: -103.093
where: short stacking energy: -46.979
Base-Backbone interact. energy: -0.407
local terms energy: -45.895402
where:
bonds (distance) C4'-P energy: -0.109
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -84.175219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.175219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.175219 (E_RNA)
where:
Base-Base interactions energy: -27.119
where: short stacking energy: -27.119
Base-Backbone interact. energy: 0.324
local terms energy: -57.380391
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -8.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -79.858463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.858463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.858463 (E_RNA)
where:
Base-Base interactions energy: -29.474
where: short stacking energy: -29.474
Base-Backbone interact. energy: 0.769
local terms energy: -51.153789
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -231.050982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.050982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.050982 (E_RNA)
where:
Base-Base interactions energy: -149.151
where: short stacking energy: -68.878
Base-Backbone interact. energy: -0.640
local terms energy: -81.260335
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -20.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -224.353998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.353998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.353998 (E_RNA)
where:
Base-Base interactions energy: -150.470
where: short stacking energy: -66.411
Base-Backbone interact. energy: -0.466
local terms energy: -73.417881
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -20.328
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: 402
Temperature: 1.000000
Total energy: -200.575822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.575822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.575822 (E_RNA)
where:
Base-Base interactions energy: -124.503
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.003
local terms energy: -76.069999
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.161
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: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -194.155105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.155105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.155105 (E_RNA)
where:
Base-Base interactions energy: -130.484
where: short stacking energy: -69.839
Base-Backbone interact. energy: -0.484
local terms energy: -63.186843
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -2.965
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: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -154.088200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.088200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.088200 (E_RNA)
where:
Base-Base interactions energy: -87.773
where: short stacking energy: -36.713
Base-Backbone interact. energy: -0.355
local terms energy: -65.959998
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -101.589679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.589679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.589679 (E_RNA)
where:
Base-Base interactions energy: -47.346
where: short stacking energy: -27.051
Base-Backbone interact. energy: -0.099
local terms energy: -54.144177
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -171.589223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.589223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.589223 (E_RNA)
where:
Base-Base interactions energy: -108.859
where: short stacking energy: -45.549
Base-Backbone interact. energy: -0.511
local terms energy: -62.219309
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -130.619483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.619483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.619483 (E_RNA)
where:
Base-Base interactions energy: -75.409
where: short stacking energy: -46.169
Base-Backbone interact. energy: 0.002
local terms energy: -55.212085
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -83.280189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280189 (E_RNA)
where:
Base-Base interactions energy: -32.955
where: short stacking energy: -32.955
Base-Backbone interact. energy: -0.856
local terms energy: -49.469281
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -77.742571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.742571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.742571 (E_RNA)
where:
Base-Base interactions energy: -19.184
where: short stacking energy: -14.076
Base-Backbone interact. energy: -0.180
local terms energy: -58.378736
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -230.040011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.040011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.040011 (E_RNA)
where:
Base-Base interactions energy: -153.480
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.815
local terms energy: -75.744885
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -222.800169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.800169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.800169 (E_RNA)
where:
Base-Base interactions energy: -144.996
where: short stacking energy: -64.520
Base-Backbone interact. energy: -0.171
local terms energy: -77.632628
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -20.203
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: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -199.316681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.316681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.316681 (E_RNA)
where:
Base-Base interactions energy: -127.556
where: short stacking energy: -66.410
Base-Backbone interact. energy: 0.460
local terms energy: -72.220535
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -185.386052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.386052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.386052 (E_RNA)
where:
Base-Base interactions energy: -121.703
where: short stacking energy: -56.424
Base-Backbone interact. energy: -0.163
local terms energy: -63.520403
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -15.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -118.587917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.587917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.587917 (E_RNA)
where:
Base-Base interactions energy: -56.943
where: short stacking energy: -27.641
Base-Backbone interact. energy: -0.273
local terms energy: -61.371017
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -187.255153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.255153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.255153 (E_RNA)
where:
Base-Base interactions energy: -125.845
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.131
local terms energy: -61.279050
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -111.576374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.576374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.576374 (E_RNA)
where:
Base-Base interactions energy: -60.402
where: short stacking energy: -44.542
Base-Backbone interact. energy: -0.544
local terms energy: -50.630602
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -126.591376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.591376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.591376 (E_RNA)
where:
Base-Base interactions energy: -73.160
where: short stacking energy: -33.033
Base-Backbone interact. energy: -0.937
local terms energy: -52.494283
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -79.223379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.223379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.223379 (E_RNA)
where:
Base-Base interactions energy: -27.557
where: short stacking energy: -24.593
Base-Backbone interact. energy: -0.185
local terms energy: -51.480825
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -3.127
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: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -76.828115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.828115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.828115 (E_RNA)
where:
Base-Base interactions energy: -29.990
where: short stacking energy: -28.509
Base-Backbone interact. energy: -0.022
local terms energy: -46.816588
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -3.055
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: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -224.025121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.025121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.025121 (E_RNA)
where:
Base-Base interactions energy: -145.693
where: short stacking energy: -69.327
Base-Backbone interact. energy: -0.746
local terms energy: -77.585580
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -227.091484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.091484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.091484 (E_RNA)
where:
Base-Base interactions energy: -147.528
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.007
local terms energy: -79.556358
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.485
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: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -203.629717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.629717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.629717 (E_RNA)
where:
Base-Base interactions energy: -134.449
where: short stacking energy: -65.869
Base-Backbone interact. energy: 0.544
local terms energy: -69.724633
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -180.764100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.764100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.764100 (E_RNA)
where:
Base-Base interactions energy: -116.539
where: short stacking energy: -59.977
Base-Backbone interact. energy: -0.073
local terms energy: -64.151852
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -191.214176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.214176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.214176 (E_RNA)
where:
Base-Base interactions energy: -122.736
where: short stacking energy: -61.474
Base-Backbone interact. energy: -0.146
local terms energy: -68.331220
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -102.109943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.109943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.109943 (E_RNA)
where:
Base-Base interactions energy: -44.701
where: short stacking energy: -33.299
Base-Backbone interact. energy: -0.313
local terms energy: -57.095412
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -12.344
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: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -140.498014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.498014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.498014 (E_RNA)
where:
Base-Base interactions energy: -82.204
where: short stacking energy: -46.023
Base-Backbone interact. energy: 0.575
local terms energy: -58.869369
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -10.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -88.960822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960822 (E_RNA)
where:
Base-Base interactions energy: -45.481
where: short stacking energy: -34.202
Base-Backbone interact. energy: -0.068
local terms energy: -43.411339
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -4.975
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -81.916199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.916199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.916199 (E_RNA)
where:
Base-Base interactions energy: -30.425
where: short stacking energy: -30.425
Base-Backbone interact. energy: -0.223
local terms energy: -51.267791
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -85.702029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.702029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.702029 (E_RNA)
where:
Base-Base interactions energy: -33.799
where: short stacking energy: -31.522
Base-Backbone interact. energy: -0.107
local terms energy: -51.795995
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -226.748027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.748027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.748027 (E_RNA)
where:
Base-Base interactions energy: -147.178
where: short stacking energy: -72.794
Base-Backbone interact. energy: -0.064
local terms energy: -79.505587
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -222.531278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.531278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.531278 (E_RNA)
where:
Base-Base interactions energy: -152.233
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.006
local terms energy: -70.292649
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -9.346
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: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -196.083155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.083155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.083155 (E_RNA)
where:
Base-Base interactions energy: -137.290
where: short stacking energy: -55.001
Base-Backbone interact. energy: 0.838
local terms energy: -59.631701
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -199.080703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.080703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.080703 (E_RNA)
where:
Base-Base interactions energy: -126.197
where: short stacking energy: -62.469
Base-Backbone interact. energy: -0.010
local terms energy: -72.874469
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -183.024458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.024458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.024458 (E_RNA)
where:
Base-Base interactions energy: -112.387
where: short stacking energy: -55.161
Base-Backbone interact. energy: -0.699
local terms energy: -69.938582
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -9.168
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: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -134.751729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.751729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.751729 (E_RNA)
where:
Base-Base interactions energy: -74.482
where: short stacking energy: -43.675
Base-Backbone interact. energy: -0.107
local terms energy: -60.162833
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -12.735
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: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -84.356180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.356180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.356180 (E_RNA)
where:
Base-Base interactions energy: -39.024
where: short stacking energy: -23.836
Base-Backbone interact. energy: -1.348
local terms energy: -43.983931
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -8.986
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: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -80.915770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.915770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.915770 (E_RNA)
where:
Base-Base interactions energy: -27.165
where: short stacking energy: -21.779
Base-Backbone interact. energy: -0.167
local terms energy: -53.583767
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -3.075
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: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -83.983622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.983622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.983622 (E_RNA)
where:
Base-Base interactions energy: -33.230
where: short stacking energy: -33.230
Base-Backbone interact. energy: 0.081
local terms energy: -50.834967
where:
bonds (distance) C4'-P energy: -5.795
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -85.949000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.949000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.949000 (E_RNA)
where:
Base-Base interactions energy: -39.942
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.417
local terms energy: -45.589731
where:
bonds (distance) C4'-P energy: -7.711
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -227.739251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.739251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.739251 (E_RNA)
where:
Base-Base interactions energy: -151.010
where: short stacking energy: -72.041
Base-Backbone interact. energy: -0.003
local terms energy: -76.725779
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -223.178540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.178540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.178540 (E_RNA)
where:
Base-Base interactions energy: -140.017
where: short stacking energy: -74.554
Base-Backbone interact. energy: -0.023
local terms energy: -83.138605
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -20.359
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: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -216.928412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.928412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.928412 (E_RNA)
where:
Base-Base interactions energy: -142.097
where: short stacking energy: -60.940
Base-Backbone interact. energy: -0.686
local terms energy: -74.145389
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -14.971
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: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -190.505118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.505118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.505118 (E_RNA)
where:
Base-Base interactions energy: -123.912
where: short stacking energy: -53.097
Base-Backbone interact. energy: -0.054
local terms energy: -66.538779
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -188.098599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.098599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.098599 (E_RNA)
where:
Base-Base interactions energy: -125.536
where: short stacking energy: -61.651
Base-Backbone interact. energy: -0.006
local terms energy: -62.557176
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -99.243909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.243909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.243909 (E_RNA)
where:
Base-Base interactions energy: -41.463
where: short stacking energy: -38.692
Base-Backbone interact. energy: -0.732
local terms energy: -57.049449
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -87.532515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.532515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.532515 (E_RNA)
where:
Base-Base interactions energy: -31.868
where: short stacking energy: -22.452
Base-Backbone interact. energy: -0.214
local terms energy: -55.450768
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: 0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -81.545945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.545945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.545945 (E_RNA)
where:
Base-Base interactions energy: -28.372
where: short stacking energy: -22.297
Base-Backbone interact. energy: 0.702
local terms energy: -53.876261
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: 0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -79.099440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.099440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.099440 (E_RNA)
where:
Base-Base interactions energy: -22.723
where: short stacking energy: -10.403
Base-Backbone interact. energy: -0.862
local terms energy: -55.514459
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -84.672928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.672928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.672928 (E_RNA)
where:
Base-Base interactions energy: -35.636
where: short stacking energy: -30.912
Base-Backbone interact. energy: -0.036
local terms energy: -49.000956
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -231.908091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.908091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.908091 (E_RNA)
where:
Base-Base interactions energy: -156.232
where: short stacking energy: -76.126
Base-Backbone interact. energy: -0.003
local terms energy: -75.673025
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -217.456774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.456774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.456774 (E_RNA)
where:
Base-Base interactions energy: -137.703
where: short stacking energy: -59.915
Base-Backbone interact. energy: -1.453
local terms energy: -78.300861
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -214.080976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.080976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.080976 (E_RNA)
where:
Base-Base interactions energy: -137.002
where: short stacking energy: -67.341
Base-Backbone interact. energy: -0.003
local terms energy: -77.076223
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -12.193
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: 4, replica: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -205.029323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.029323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.029323 (E_RNA)
where:
Base-Base interactions energy: -140.104
where: short stacking energy: -56.061
Base-Backbone interact. energy: -0.001
local terms energy: -64.923507
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -13.208
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: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -188.851232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.851232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.851232 (E_RNA)
where:
Base-Base interactions energy: -127.232
where: short stacking energy: -61.897
Base-Backbone interact. energy: -0.100
local terms energy: -61.519427
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -120.664413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.664413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.664413 (E_RNA)
where:
Base-Base interactions energy: -71.322
where: short stacking energy: -34.215
Base-Backbone interact. energy: 0.440
local terms energy: -49.781765
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -95.919694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.919694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.919694 (E_RNA)
where:
Base-Base interactions energy: -36.890
where: short stacking energy: -34.407
Base-Backbone interact. energy: -0.109
local terms energy: -58.921307
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -83.001818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.001818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.001818 (E_RNA)
where:
Base-Base interactions energy: -32.507
where: short stacking energy: -19.986
Base-Backbone interact. energy: -0.605
local terms energy: -49.890082
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.738
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: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -86.687153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.687153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.687153 (E_RNA)
where:
Base-Base interactions energy: -34.901
where: short stacking energy: -34.647
Base-Backbone interact. energy: -0.151
local terms energy: -51.634482
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -78.504571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.504571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.504571 (E_RNA)
where:
Base-Base interactions energy: -28.536
where: short stacking energy: -26.720
Base-Backbone interact. energy: -0.073
local terms energy: -49.895686
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -219.035764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.035764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.035764 (E_RNA)
where:
Base-Base interactions energy: -142.939
where: short stacking energy: -62.214
Base-Backbone interact. energy: -1.489
local terms energy: -74.607790
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -226.408330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.408330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.408330 (E_RNA)
where:
Base-Base interactions energy: -150.175
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.261
local terms energy: -75.972222
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -19.382
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: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -214.019327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.019327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.019327 (E_RNA)
where:
Base-Base interactions energy: -145.206
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.161
local terms energy: -68.652739
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -19.587
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: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -188.109497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.109497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.109497 (E_RNA)
where:
Base-Base interactions energy: -119.669
where: short stacking energy: -58.058
Base-Backbone interact. energy: -0.002
local terms energy: -68.438372
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -11.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -170.307217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.307217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.307217 (E_RNA)
where:
Base-Base interactions energy: -108.709
where: short stacking energy: -48.495
Base-Backbone interact. energy: -0.099
local terms energy: -61.499553
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -116.933977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.933977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.933977 (E_RNA)
where:
Base-Base interactions energy: -56.707
where: short stacking energy: -42.532
Base-Backbone interact. energy: -0.128
local terms energy: -60.098646
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -113.509952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.509952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.509952 (E_RNA)
where:
Base-Base interactions energy: -70.105
where: short stacking energy: -39.287
Base-Backbone interact. energy: 0.100
local terms energy: -43.504699
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -3.750
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: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -87.631406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.631406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.631406 (E_RNA)
where:
Base-Base interactions energy: -30.184
where: short stacking energy: -29.892
Base-Backbone interact. energy: -1.329
local terms energy: -56.118543
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -83.766385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.766385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.766385 (E_RNA)
where:
Base-Base interactions energy: -35.147
where: short stacking energy: -21.063
Base-Backbone interact. energy: -0.095
local terms energy: -48.524728
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: 1.457
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: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -87.796172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.796172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.796172 (E_RNA)
where:
Base-Base interactions energy: -43.505
where: short stacking energy: -21.784
Base-Backbone interact. energy: -0.116
local terms energy: -44.175111
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -217.757049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.757049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.757049 (E_RNA)
where:
Base-Base interactions energy: -145.191
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.544
local terms energy: -72.021777
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -16.928
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: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -230.460946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.460946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.460946 (E_RNA)
where:
Base-Base interactions energy: -152.125
where: short stacking energy: -69.601
Base-Backbone interact. energy: -0.029
local terms energy: -78.306928
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.276
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: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -223.559364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.559364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.559364 (E_RNA)
where:
Base-Base interactions energy: -144.504
where: short stacking energy: -73.258
Base-Backbone interact. energy: -0.383
local terms energy: -78.671630
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -190.863617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.863617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.863617 (E_RNA)
where:
Base-Base interactions energy: -123.214
where: short stacking energy: -64.697
Base-Backbone interact. energy: -0.776
local terms energy: -66.874307
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -178.688169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.688169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.688169 (E_RNA)
where:
Base-Base interactions energy: -119.586
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.003
local terms energy: -59.099538
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -11.542
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: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -112.386585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.386585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.386585 (E_RNA)
where:
Base-Base interactions energy: -60.181
where: short stacking energy: -32.385
Base-Backbone interact. energy: -0.185
local terms energy: -52.020514
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -2.158
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -98.426515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.426515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.426515 (E_RNA)
where:
Base-Base interactions energy: -41.967
where: short stacking energy: -28.316
Base-Backbone interact. energy: 1.912
local terms energy: -58.371468
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -82.498603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.498603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.498603 (E_RNA)
where:
Base-Base interactions energy: -35.240
where: short stacking energy: -28.360
Base-Backbone interact. energy: -0.095
local terms energy: -47.163764
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -96.443163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.443163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.443163 (E_RNA)
where:
Base-Base interactions energy: -41.338
where: short stacking energy: -41.338
Base-Backbone interact. energy: -0.006
local terms energy: -55.099197
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -79.475490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.475490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.475490 (E_RNA)
where:
Base-Base interactions energy: -32.096
where: short stacking energy: -27.612
Base-Backbone interact. energy: -0.442
local terms energy: -46.936657
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -221.349373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.349373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.349373 (E_RNA)
where:
Base-Base interactions energy: -147.001
where: short stacking energy: -66.512
Base-Backbone interact. energy: -0.370
local terms energy: -73.978149
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -18.639
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: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -211.848234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.848234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.848234 (E_RNA)
where:
Base-Base interactions energy: -129.791
where: short stacking energy: -72.368
Base-Backbone interact. energy: -0.000
local terms energy: -82.056802
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -198.099025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.099025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.099025 (E_RNA)
where:
Base-Base interactions energy: -122.600
where: short stacking energy: -68.629
Base-Backbone interact. energy: -0.001
local terms energy: -75.497980
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -215.301866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.301866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.301866 (E_RNA)
where:
Base-Base interactions energy: -141.184
where: short stacking energy: -70.131
Base-Backbone interact. energy: -0.007
local terms energy: -74.110793
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.129
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: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -178.239965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.239965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.239965 (E_RNA)
where:
Base-Base interactions energy: -121.216
where: short stacking energy: -58.427
Base-Backbone interact. energy: 0.355
local terms energy: -57.379187
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -103.554754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.554754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.554754 (E_RNA)
where:
Base-Base interactions energy: -56.967
where: short stacking energy: -30.651
Base-Backbone interact. energy: -0.517
local terms energy: -46.071208
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -0.090
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -87.301103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.301103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.301103 (E_RNA)
where:
Base-Base interactions energy: -34.397
where: short stacking energy: -34.089
Base-Backbone interact. energy: -0.051
local terms energy: -52.852811
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -3.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -84.983297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.983297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.983297 (E_RNA)
where:
Base-Base interactions energy: -37.592
where: short stacking energy: -15.662
Base-Backbone interact. energy: -0.325
local terms energy: -47.066152
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: 3.841
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: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -122.750651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.750651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.750651 (E_RNA)
where:
Base-Base interactions energy: -74.815
where: short stacking energy: -29.089
Base-Backbone interact. energy: -0.252
local terms energy: -47.683109
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: 0.441
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: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -75.302266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.302266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.302266 (E_RNA)
where:
Base-Base interactions energy: -31.576
where: short stacking energy: -22.469
Base-Backbone interact. energy: -0.870
local terms energy: -42.856283
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: 1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -224.961023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.961023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.961023 (E_RNA)
where:
Base-Base interactions energy: -147.835
where: short stacking energy: -71.836
Base-Backbone interact. energy: 0.119
local terms energy: -77.245100
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -20.238
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: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -209.099894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.099894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.099894 (E_RNA)
where:
Base-Base interactions energy: -129.217
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.169
local terms energy: -79.713976
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -21.372
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: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -191.543240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.543240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.543240 (E_RNA)
where:
Base-Base interactions energy: -119.063
where: short stacking energy: -61.500
Base-Backbone interact. energy: -0.107
local terms energy: -72.373676
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -189.011243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.011243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.011243 (E_RNA)
where:
Base-Base interactions energy: -120.992
where: short stacking energy: -58.634
Base-Backbone interact. energy: 0.535
local terms energy: -68.553797
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -17.749
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: 411
Temperature: 1.100000
Total energy: -194.096239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.096239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.096239 (E_RNA)
where:
Base-Base interactions energy: -133.135
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.034
local terms energy: -60.927559
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -110.993143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.993143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.993143 (E_RNA)
where:
Base-Base interactions energy: -58.359
where: short stacking energy: -39.326
Base-Backbone interact. energy: -0.221
local terms energy: -52.413442
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -94.311361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.311361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.311361 (E_RNA)
where:
Base-Base interactions energy: -50.081
where: short stacking energy: -40.640
Base-Backbone interact. energy: -0.145
local terms energy: -44.085782
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -111.685112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.685112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.685112 (E_RNA)
where:
Base-Base interactions energy: -65.042
where: short stacking energy: -33.420
Base-Backbone interact. energy: -0.103
local terms energy: -46.540399
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -2.020
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -87.527040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.527040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.527040 (E_RNA)
where:
Base-Base interactions energy: -32.373
where: short stacking energy: -32.373
Base-Backbone interact. energy: -0.029
local terms energy: -55.125791
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -76.712383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.712383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.712383 (E_RNA)
where:
Base-Base interactions energy: -25.438
where: short stacking energy: -24.346
Base-Backbone interact. energy: -1.932
local terms energy: -49.342900
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -222.093285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.093285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.093285 (E_RNA)
where:
Base-Base interactions energy: -144.766
where: short stacking energy: -68.671
Base-Backbone interact. energy: -0.384
local terms energy: -76.942602
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -17.865
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: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -223.981157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.981157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.981157 (E_RNA)
where:
Base-Base interactions energy: -150.086
where: short stacking energy: -69.706
Base-Backbone interact. energy: 0.002
local terms energy: -73.897728
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -8.857
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: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -189.199017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.199017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.199017 (E_RNA)
where:
Base-Base interactions energy: -120.944
where: short stacking energy: -57.492
Base-Backbone interact. energy: -0.103
local terms energy: -68.152162
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -14.235
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: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -179.298912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.298912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.298912 (E_RNA)
where:
Base-Base interactions energy: -116.316
where: short stacking energy: -52.554
Base-Backbone interact. energy: -0.011
local terms energy: -62.971865
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -211.233197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.233197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.233197 (E_RNA)
where:
Base-Base interactions energy: -137.913
where: short stacking energy: -64.308
Base-Backbone interact. energy: -0.207
local terms energy: -73.113606
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -91.868922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.868922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.868922 (E_RNA)
where:
Base-Base interactions energy: -36.783
where: short stacking energy: -36.783
Base-Backbone interact. energy: -0.119
local terms energy: -54.966818
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -101.837056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.837056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.837056 (E_RNA)
where:
Base-Base interactions energy: -36.381
where: short stacking energy: -31.720
Base-Backbone interact. energy: -1.078
local terms energy: -64.378188
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -4.948
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: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -83.686719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.686719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.686719 (E_RNA)
where:
Base-Base interactions energy: -40.885
where: short stacking energy: -24.981
Base-Backbone interact. energy: -0.377
local terms energy: -42.424893
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -0.064
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: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -84.211014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.211014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.211014 (E_RNA)
where:
Base-Base interactions energy: -34.513
where: short stacking energy: -34.513
Base-Backbone interact. energy: -0.111
local terms energy: -49.586763
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -4.420
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -68.746954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.746954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.746954 (E_RNA)
where:
Base-Base interactions energy: -21.922
where: short stacking energy: -19.282
Base-Backbone interact. energy: -0.042
local terms energy: -46.782795
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -6.779
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: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -218.802198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.802198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.802198 (E_RNA)
where:
Base-Base interactions energy: -147.760
where: short stacking energy: -67.205
Base-Backbone interact. energy: -0.458
local terms energy: -70.583764
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -230.770068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.770068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.770068 (E_RNA)
where:
Base-Base interactions energy: -159.253
where: short stacking energy: -73.564
Base-Backbone interact. energy: -0.132
local terms energy: -71.384498
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -189.160630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.160630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.160630 (E_RNA)
where:
Base-Base interactions energy: -124.397
where: short stacking energy: -63.320
Base-Backbone interact. energy: -0.240
local terms energy: -64.524528
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -10.589
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -212.780102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.780102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.780102 (E_RNA)
where:
Base-Base interactions energy: -143.182
where: short stacking energy: -67.833
Base-Backbone interact. energy: -0.838
local terms energy: -68.760274
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -183.179909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.179909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.179909 (E_RNA)
where:
Base-Base interactions energy: -120.318
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.068
local terms energy: -62.793895
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -103.926587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.926587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.926587 (E_RNA)
where:
Base-Base interactions energy: -49.363
where: short stacking energy: -49.127
Base-Backbone interact. energy: -0.121
local terms energy: -54.442830
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -7.759
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: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -89.224654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.224654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.224654 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -36.877
Base-Backbone interact. energy: -0.046
local terms energy: -51.451564
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -99.221779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.221779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.221779 (E_RNA)
where:
Base-Base interactions energy: -43.840
where: short stacking energy: -29.401
Base-Backbone interact. energy: 0.941
local terms energy: -56.322502
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -89.650504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.650504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.650504 (E_RNA)
where:
Base-Base interactions energy: -35.856
where: short stacking energy: -34.683
Base-Backbone interact. energy: -0.050
local terms energy: -53.744508
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -7.457
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -7.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -73.646698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.646698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.646698 (E_RNA)
where:
Base-Base interactions energy: -33.452
where: short stacking energy: -32.010
Base-Backbone interact. energy: -0.158
local terms energy: -40.036570
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -222.160876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.160876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.160876 (E_RNA)
where:
Base-Base interactions energy: -142.026
where: short stacking energy: -72.378
Base-Backbone interact. energy: -0.001
local terms energy: -80.133018
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -203.228442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.228442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.228442 (E_RNA)
where:
Base-Base interactions energy: -128.901
where: short stacking energy: -67.344
Base-Backbone interact. energy: 0.336
local terms energy: -74.664072
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -215.417160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.417160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.417160 (E_RNA)
where:
Base-Base interactions energy: -138.075
where: short stacking energy: -72.472
Base-Backbone interact. energy: -0.023
local terms energy: -77.319385
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -185.408453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.408453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.408453 (E_RNA)
where:
Base-Base interactions energy: -118.096
where: short stacking energy: -50.540
Base-Backbone interact. energy: -0.030
local terms energy: -67.282230
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -191.469897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.469897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.469897 (E_RNA)
where:
Base-Base interactions energy: -121.237
where: short stacking energy: -63.952
Base-Backbone interact. energy: 0.056
local terms energy: -70.288618
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -102.905735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.905735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.905735 (E_RNA)
where:
Base-Base interactions energy: -38.921
where: short stacking energy: -35.981
Base-Backbone interact. energy: -0.750
local terms energy: -63.234555
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -101.276370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.276370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.276370 (E_RNA)
where:
Base-Base interactions energy: -44.367
where: short stacking energy: -21.293
Base-Backbone interact. energy: -0.384
local terms energy: -56.525028
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -93.404017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.404017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.404017 (E_RNA)
where:
Base-Base interactions energy: -48.179
where: short stacking energy: -37.394
Base-Backbone interact. energy: -0.189
local terms energy: -45.036265
where:
bonds (distance) C4'-P energy: -8.955
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -86.733547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.733547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.733547 (E_RNA)
where:
Base-Base interactions energy: -40.354
where: short stacking energy: -32.121
Base-Backbone interact. energy: 1.273
local terms energy: -47.652534
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -8.789
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -85.481188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.481188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.481188 (E_RNA)
where:
Base-Base interactions energy: -42.592
where: short stacking energy: -20.117
Base-Backbone interact. energy: -0.117
local terms energy: -42.771840
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: 1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -212.847251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.847251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.847251 (E_RNA)
where:
Base-Base interactions energy: -133.481
where: short stacking energy: -74.528
Base-Backbone interact. energy: -0.002
local terms energy: -79.364136
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -20.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -215.270976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.270976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.270976 (E_RNA)
where:
Base-Base interactions energy: -132.633
where: short stacking energy: -72.846
Base-Backbone interact. energy: 0.735
local terms energy: -83.373482
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.471
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: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -194.304700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.304700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.304700 (E_RNA)
where:
Base-Base interactions energy: -129.752
where: short stacking energy: -62.882
Base-Backbone interact. energy: -0.004
local terms energy: -64.548136
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -186.981923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.981923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.981923 (E_RNA)
where:
Base-Base interactions energy: -118.478
where: short stacking energy: -57.603
Base-Backbone interact. energy: 0.385
local terms energy: -68.888480
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -176.869650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.869650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.869650 (E_RNA)
where:
Base-Base interactions energy: -115.569
where: short stacking energy: -59.530
Base-Backbone interact. energy: -0.492
local terms energy: -60.808872
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -7.048
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: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -135.945409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.945409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.945409 (E_RNA)
where:
Base-Base interactions energy: -75.342
where: short stacking energy: -43.242
Base-Backbone interact. energy: -0.067
local terms energy: -60.537191
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -9.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -91.609097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.609097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.609097 (E_RNA)
where:
Base-Base interactions energy: -36.878
where: short stacking energy: -35.662
Base-Backbone interact. energy: -0.179
local terms energy: -54.551975
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -85.307283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.307283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.307283 (E_RNA)
where:
Base-Base interactions energy: -34.549
where: short stacking energy: -34.549
Base-Backbone interact. energy: -0.173
local terms energy: -50.585707
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: 0.041
tors. eta vs tors. theta energy: -7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -76.287030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.287030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.287030 (E_RNA)
where:
Base-Base interactions energy: -30.125
where: short stacking energy: -26.564
Base-Backbone interact. energy: -0.411
local terms energy: -45.750604
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -87.137124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.137124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.137124 (E_RNA)
where:
Base-Base interactions energy: -29.589
where: short stacking energy: -24.047
Base-Backbone interact. energy: 1.564
local terms energy: -59.111661
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -204.598284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.598284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.598284 (E_RNA)
where:
Base-Base interactions energy: -135.661
where: short stacking energy: -69.364
Base-Backbone interact. energy: 0.238
local terms energy: -69.175636
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -12.922
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: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -219.507917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.507917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.507917 (E_RNA)
where:
Base-Base interactions energy: -143.203
where: short stacking energy: -67.566
Base-Backbone interact. energy: -0.025
local terms energy: -76.280078
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -198.507173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.507173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.507173 (E_RNA)
where:
Base-Base interactions energy: -127.509
where: short stacking energy: -66.020
Base-Backbone interact. energy: -0.160
local terms energy: -70.837458
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -194.902348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.902348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.902348 (E_RNA)
where:
Base-Base interactions energy: -123.067
where: short stacking energy: -60.175
Base-Backbone interact. energy: -0.108
local terms energy: -71.727729
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -17.843
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: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -191.341335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.341335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.341335 (E_RNA)
where:
Base-Base interactions energy: -132.089
where: short stacking energy: -47.286
Base-Backbone interact. energy: -0.503
local terms energy: -58.749787
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -140.165461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.165461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.165461 (E_RNA)
where:
Base-Base interactions energy: -94.807
where: short stacking energy: -36.772
Base-Backbone interact. energy: 2.845
local terms energy: -48.202562
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: 2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -94.061323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.061323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.061323 (E_RNA)
where:
Base-Base interactions energy: -36.553
where: short stacking energy: -36.553
Base-Backbone interact. energy: -0.073
local terms energy: -57.435418
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -95.490221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.490221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.490221 (E_RNA)
where:
Base-Base interactions energy: -59.785
where: short stacking energy: -32.528
Base-Backbone interact. energy: -0.409
local terms energy: -35.295961
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -4.996
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: 1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -75.766349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.766349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.766349 (E_RNA)
where:
Base-Base interactions energy: -22.260
where: short stacking energy: -21.846
Base-Backbone interact. energy: -0.356
local terms energy: -53.150089
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -69.831106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.831106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.831106 (E_RNA)
where:
Base-Base interactions energy: -19.508
where: short stacking energy: -13.497
Base-Backbone interact. energy: -0.294
local terms energy: -50.028722
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -8.339
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: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -204.080296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.080296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.080296 (E_RNA)
where:
Base-Base interactions energy: -134.574
where: short stacking energy: -70.560
Base-Backbone interact. energy: 0.814
local terms energy: -70.319699
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -17.910
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: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -218.136613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.136613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.136613 (E_RNA)
where:
Base-Base interactions energy: -139.582
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.041
local terms energy: -78.513539
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -195.717182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.717182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.717182 (E_RNA)
where:
Base-Base interactions energy: -122.349
where: short stacking energy: -61.026
Base-Backbone interact. energy: -0.018
local terms energy: -73.349321
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -189.686197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.686197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.686197 (E_RNA)
where:
Base-Base interactions energy: -129.909
where: short stacking energy: -52.277
Base-Backbone interact. energy: -0.766
local terms energy: -59.011653
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -9.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -189.644750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.644750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.644750 (E_RNA)
where:
Base-Base interactions energy: -117.111
where: short stacking energy: -64.388
Base-Backbone interact. energy: 0.009
local terms energy: -72.542379
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -148.271506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.271506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.271506 (E_RNA)
where:
Base-Base interactions energy: -92.097
where: short stacking energy: -42.608
Base-Backbone interact. energy: -0.054
local terms energy: -56.120271
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -9.292
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: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -100.074910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.074910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.074910 (E_RNA)
where:
Base-Base interactions energy: -37.492
where: short stacking energy: -37.492
Base-Backbone interact. energy: -0.154
local terms energy: -62.428749
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -9.124
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: 417
Temperature: 1.250000
Total energy: -131.636955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.636955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.636955 (E_RNA)
where:
Base-Base interactions energy: -71.238
where: short stacking energy: -40.425
Base-Backbone interact. energy: -0.017
local terms energy: -60.381715
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -83.514759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.514759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.514759 (E_RNA)
where:
Base-Base interactions energy: -26.936
where: short stacking energy: -27.247
Base-Backbone interact. energy: -0.092
local terms energy: -56.486568
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -85.338560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.338560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.338560 (E_RNA)
where:
Base-Base interactions energy: -39.159
where: short stacking energy: -39.159
Base-Backbone interact. energy: -0.357
local terms energy: -45.822323
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -231.848207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.848207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.848207 (E_RNA)
where:
Base-Base interactions energy: -149.113
where: short stacking energy: -71.507
Base-Backbone interact. energy: -0.434
local terms energy: -82.301616
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -18.518
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: 2, replica: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -213.633190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.633190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.633190 (E_RNA)
where:
Base-Base interactions energy: -140.751
where: short stacking energy: -76.553
Base-Backbone interact. energy: -0.633
local terms energy: -72.250150
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -186.115262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.115262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.115262 (E_RNA)
where:
Base-Base interactions energy: -121.992
where: short stacking energy: -58.446
Base-Backbone interact. energy: -0.024
local terms energy: -64.099579
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -7.952
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: 4, replica: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -195.533197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.533197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.533197 (E_RNA)
where:
Base-Base interactions energy: -135.989
where: short stacking energy: -59.695
Base-Backbone interact. energy: -0.028
local terms energy: -59.515701
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -185.339974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.339974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.339974 (E_RNA)
where:
Base-Base interactions energy: -125.504
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.176
local terms energy: -59.660138
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -133.241303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.241303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.241303 (E_RNA)
where:
Base-Base interactions energy: -85.038
where: short stacking energy: -31.761
Base-Backbone interact. energy: 0.455
local terms energy: -48.658551
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -8.221
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: 7, replica: 4
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -126.510493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.510493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.510493 (E_RNA)
where:
Base-Base interactions energy: -72.604
where: short stacking energy: -49.125
Base-Backbone interact. energy: -0.287
local terms energy: -53.619545
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -3.822
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: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -90.659670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.659670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.659670 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -35.677
Base-Backbone interact. energy: -0.048
local terms energy: -52.299497
where:
bonds (distance) C4'-P energy: -7.406
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -6.655
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -91.494763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.494763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.494763 (E_RNA)
where:
Base-Base interactions energy: -44.253
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.462
local terms energy: -46.778899
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -87.412316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.412316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.412316 (E_RNA)
where:
Base-Base interactions energy: -44.923
where: short stacking energy: -38.188
Base-Backbone interact. energy: 0.450
local terms energy: -42.939672
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -9.733
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -10.201
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: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -231.373142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.373142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.373142 (E_RNA)
where:
Base-Base interactions energy: -152.044
where: short stacking energy: -70.122
Base-Backbone interact. energy: -0.380
local terms energy: -78.949326
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -19.558
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: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -201.997414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.997414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.997414 (E_RNA)
where:
Base-Base interactions energy: -133.147
where: short stacking energy: -54.365
Base-Backbone interact. energy: -0.328
local terms energy: -68.522753
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -197.659840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.659840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.659840 (E_RNA)
where:
Base-Base interactions energy: -129.074
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.064
local terms energy: -68.521250
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -15.960
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: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -195.133170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.133170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.133170 (E_RNA)
where:
Base-Base interactions energy: -133.256
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.073
local terms energy: -61.803786
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -190.353543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.353543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.353543 (E_RNA)
where:
Base-Base interactions energy: -127.384
where: short stacking energy: -58.619
Base-Backbone interact. energy: -0.138
local terms energy: -62.830881
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -108.437921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.437921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.437921 (E_RNA)
where:
Base-Base interactions energy: -42.437
where: short stacking energy: -41.226
Base-Backbone interact. energy: -0.122
local terms energy: -65.879238
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -157.290128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.290128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.290128 (E_RNA)
where:
Base-Base interactions energy: -95.040
where: short stacking energy: -54.619
Base-Backbone interact. energy: -0.164
local terms energy: -62.086458
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -12.497
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: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -82.455851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.455851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.455851 (E_RNA)
where:
Base-Base interactions energy: -31.413
where: short stacking energy: -31.383
Base-Backbone interact. energy: -0.675
local terms energy: -50.367607
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -100.420379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.420379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.420379 (E_RNA)
where:
Base-Base interactions energy: -56.995
where: short stacking energy: -36.877
Base-Backbone interact. energy: -0.145
local terms energy: -43.280470
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -2.299
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: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -71.475823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.475823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.475823 (E_RNA)
where:
Base-Base interactions energy: -30.075
where: short stacking energy: -26.535
Base-Backbone interact. energy: 0.548
local terms energy: -41.948736
where:
bonds (distance) C4'-P energy: -4.791
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -228.790697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.790697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.790697 (E_RNA)
where:
Base-Base interactions energy: -151.607
where: short stacking energy: -65.865
Base-Backbone interact. energy: -0.224
local terms energy: -76.959659
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -22.172
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: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -204.582899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.582899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.582899 (E_RNA)
where:
Base-Base interactions energy: -130.707
where: short stacking energy: -67.615
Base-Backbone interact. energy: -0.345
local terms energy: -73.530711
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -197.247257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.247257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.247257 (E_RNA)
where:
Base-Base interactions energy: -128.689
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.003
local terms energy: -68.555603
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -219.583839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.583839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.583839 (E_RNA)
where:
Base-Base interactions energy: -144.589
where: short stacking energy: -75.177
Base-Backbone interact. energy: -0.574
local terms energy: -74.420012
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -23.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -174.855784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.855784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.855784 (E_RNA)
where:
Base-Base interactions energy: -118.397
where: short stacking energy: -48.879
Base-Backbone interact. energy: -0.166
local terms energy: -56.292633
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -91.652966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.652966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.652966 (E_RNA)
where:
Base-Base interactions energy: -33.841
where: short stacking energy: -33.841
Base-Backbone interact. energy: -0.176
local terms energy: -57.636635
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -143.723266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.723266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.723266 (E_RNA)
where:
Base-Base interactions energy: -77.305
where: short stacking energy: -47.687
Base-Backbone interact. energy: -0.048
local terms energy: -66.370409
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -8.467
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: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -96.092007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.092007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.092007 (E_RNA)
where:
Base-Base interactions energy: -45.460
where: short stacking energy: -23.818
Base-Backbone interact. energy: -0.660
local terms energy: -49.971862
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: 0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -94.883539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.883539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.883539 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -36.099
Base-Backbone interact. energy: -0.079
local terms energy: -57.729357
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -7.972
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: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -72.551552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.551552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.551552 (E_RNA)
where:
Base-Base interactions energy: -26.277
where: short stacking energy: -24.622
Base-Backbone interact. energy: -0.161
local terms energy: -46.113104
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -5.767
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: 0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -217.582003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.582003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.582003 (E_RNA)
where:
Base-Base interactions energy: -148.288
where: short stacking energy: -63.428
Base-Backbone interact. energy: -0.070
local terms energy: -69.223295
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -216.804161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.804161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.804161 (E_RNA)
where:
Base-Base interactions energy: -139.661
where: short stacking energy: -65.394
Base-Backbone interact. energy: -0.273
local terms energy: -76.870287
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -21.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -202.174333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.174333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.174333 (E_RNA)
where:
Base-Base interactions energy: -141.563
where: short stacking energy: -62.121
Base-Backbone interact. energy: -0.130
local terms energy: -60.481159
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -216.852883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.852883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.852883 (E_RNA)
where:
Base-Base interactions energy: -142.036
where: short stacking energy: -64.119
Base-Backbone interact. energy: -0.052
local terms energy: -74.764387
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.272
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: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -187.263830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.263830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.263830 (E_RNA)
where:
Base-Base interactions energy: -117.064
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.162
local terms energy: -70.038136
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -4.417
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -164.764479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.764479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.764479 (E_RNA)
where:
Base-Base interactions energy: -96.696
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.053
local terms energy: -68.015611
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -8.494
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: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -100.188551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.188551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.188551 (E_RNA)
where:
Base-Base interactions energy: -40.319
where: short stacking energy: -40.319
Base-Backbone interact. energy: -0.000
local terms energy: -59.869638
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -85.998154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.998154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.998154 (E_RNA)
where:
Base-Base interactions energy: -35.050
where: short stacking energy: -34.719
Base-Backbone interact. energy: -0.248
local terms energy: -50.699974
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -8.142
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: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -79.720110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.720110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.720110 (E_RNA)
where:
Base-Base interactions energy: -35.882
where: short stacking energy: -28.226
Base-Backbone interact. energy: 2.160
local terms energy: -45.998568
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -3.739
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -78.488011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.488011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.488011 (E_RNA)
where:
Base-Base interactions energy: -33.781
where: short stacking energy: -31.143
Base-Backbone interact. energy: -0.518
local terms energy: -44.189141
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -228.221266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.221266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.221266 (E_RNA)
where:
Base-Base interactions energy: -153.214
where: short stacking energy: -75.327
Base-Backbone interact. energy: -0.416
local terms energy: -74.590735
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -20.211
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: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -207.929765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.929765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.929765 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -73.358
Base-Backbone interact. energy: -0.004
local terms energy: -73.639327
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -222.570751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.570751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.570751 (E_RNA)
where:
Base-Base interactions energy: -151.257
where: short stacking energy: -73.068
Base-Backbone interact. energy: -0.242
local terms energy: -71.071185
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -191.218257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.218257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.218257 (E_RNA)
where:
Base-Base interactions energy: -123.794
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.000
local terms energy: -67.423870
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -186.809762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.809762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.809762 (E_RNA)
where:
Base-Base interactions energy: -122.382
where: short stacking energy: -50.554
Base-Backbone interact. energy: 0.199
local terms energy: -64.626605
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -154.788524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.788524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.788524 (E_RNA)
where:
Base-Base interactions energy: -87.511
where: short stacking energy: -51.860
Base-Backbone interact. energy: 1.431
local terms energy: -68.708585
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -10.988
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: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -95.335793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.335793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.335793 (E_RNA)
where:
Base-Base interactions energy: -48.385
where: short stacking energy: -43.928
Base-Backbone interact. energy: -0.782
local terms energy: -46.169549
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -5.662
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: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -95.660706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.660706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.660706 (E_RNA)
where:
Base-Base interactions energy: -47.650
where: short stacking energy: -42.488
Base-Backbone interact. energy: 3.133
local terms energy: -51.143671
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -80.934794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.934794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.934794 (E_RNA)
where:
Base-Base interactions energy: -30.664
where: short stacking energy: -24.547
Base-Backbone interact. energy: 1.509
local terms energy: -51.779271
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -3.642
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: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -76.025415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.025415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.025415 (E_RNA)
where:
Base-Base interactions energy: -21.410
where: short stacking energy: -20.229
Base-Backbone interact. energy: -0.026
local terms energy: -54.589356
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -231.737119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.737119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.737119 (E_RNA)
where:
Base-Base interactions energy: -155.518
where: short stacking energy: -80.842
Base-Backbone interact. energy: -0.188
local terms energy: -76.031315
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -23.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -228.136209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.136209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.136209 (E_RNA)
where:
Base-Base interactions energy: -151.485
where: short stacking energy: -71.676
Base-Backbone interact. energy: -0.003
local terms energy: -76.648068
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -194.187876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.187876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.187876 (E_RNA)
where:
Base-Base interactions energy: -127.848
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.020
local terms energy: -66.320611
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -195.775111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.775111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.775111 (E_RNA)
where:
Base-Base interactions energy: -136.192
where: short stacking energy: -55.642
Base-Backbone interact. energy: -0.294
local terms energy: -59.289610
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -8.540
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: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -180.079240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.079240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.079240 (E_RNA)
where:
Base-Base interactions energy: -120.047
where: short stacking energy: -59.616
Base-Backbone interact. energy: -0.065
local terms energy: -59.967541
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -16.431
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: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -146.117825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.117825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.117825 (E_RNA)
where:
Base-Base interactions energy: -80.429
where: short stacking energy: -41.561
Base-Backbone interact. energy: -0.265
local terms energy: -65.424013
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -12.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -100.730447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.730447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.730447 (E_RNA)
where:
Base-Base interactions energy: -41.616
where: short stacking energy: -41.616
Base-Backbone interact. energy: -0.036
local terms energy: -59.078656
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -8.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -82.609569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.609569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.609569 (E_RNA)
where:
Base-Base interactions energy: -27.740
where: short stacking energy: -24.540
Base-Backbone interact. energy: -0.109
local terms energy: -54.760760
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -2.778
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -90.783641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.783641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.783641 (E_RNA)
where:
Base-Base interactions energy: -34.028
where: short stacking energy: -32.694
Base-Backbone interact. energy: -0.099
local terms energy: -56.656746
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -76.459397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.459397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.459397 (E_RNA)
where:
Base-Base interactions energy: -31.111
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.180
local terms energy: -45.169080
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -7.795
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -228.015217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.015217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.015217 (E_RNA)
where:
Base-Base interactions energy: -155.805
where: short stacking energy: -71.000
Base-Backbone interact. energy: -0.004
local terms energy: -72.206584
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -229.714293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.714293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.714293 (E_RNA)
where:
Base-Base interactions energy: -148.762
where: short stacking energy: -73.741
Base-Backbone interact. energy: -0.124
local terms energy: -80.829053
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -202.705159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.705159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.705159 (E_RNA)
where:
Base-Base interactions energy: -123.416
where: short stacking energy: -61.791
Base-Backbone interact. energy: -0.015
local terms energy: -79.274208
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -18.490
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: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -193.231806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.231806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.231806 (E_RNA)
where:
Base-Base interactions energy: -125.050
where: short stacking energy: -56.733
Base-Backbone interact. energy: -0.011
local terms energy: -68.171024
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -188.078362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.078362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.078362 (E_RNA)
where:
Base-Base interactions energy: -127.552
where: short stacking energy: -48.688
Base-Backbone interact. energy: 0.212
local terms energy: -60.738504
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -129.930375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.930375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.930375 (E_RNA)
where:
Base-Base interactions energy: -70.349
where: short stacking energy: -36.722
Base-Backbone interact. energy: -0.136
local terms energy: -59.445824
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -9.521
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: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -100.908147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.908147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.908147 (E_RNA)
where:
Base-Base interactions energy: -44.664
where: short stacking energy: -41.188
Base-Backbone interact. energy: 0.170
local terms energy: -56.414612
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -6.450
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: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -85.471590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.471590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.471590 (E_RNA)
where:
Base-Base interactions energy: -30.528
where: short stacking energy: -27.952
Base-Backbone interact. energy: -0.142
local terms energy: -54.800812
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -81.278861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.278861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.278861 (E_RNA)
where:
Base-Base interactions energy: -27.673
where: short stacking energy: -23.008
Base-Backbone interact. energy: 0.278
local terms energy: -53.883215
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -74.623476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.623476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.623476 (E_RNA)
where:
Base-Base interactions energy: -34.571
where: short stacking energy: -16.574
Base-Backbone interact. energy: -0.146
local terms energy: -39.906154
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: 3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -232.682544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.682544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.682544 (E_RNA)
where:
Base-Base interactions energy: -150.440
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.010
local terms energy: -82.232602
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -10.629
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: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -227.876078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.876078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.876078 (E_RNA)
where:
Base-Base interactions energy: -149.118
where: short stacking energy: -73.933
Base-Backbone interact. energy: -0.014
local terms energy: -78.743454
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -201.287453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.287453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.287453 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -70.793
Base-Backbone interact. energy: -0.003
local terms energy: -72.328546
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -15.184
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: 425
Temperature: 1.050000
Total energy: -184.782101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.782101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.782101 (E_RNA)
where:
Base-Base interactions energy: -115.408
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.079
local terms energy: -69.294390
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -13.126
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: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -178.134937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.134937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.134937 (E_RNA)
where:
Base-Base interactions energy: -106.319
where: short stacking energy: -52.117
Base-Backbone interact. energy: -0.076
local terms energy: -71.740288
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -150.430231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.430231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.430231 (E_RNA)
where:
Base-Base interactions energy: -85.847
where: short stacking energy: -42.139
Base-Backbone interact. energy: 0.317
local terms energy: -64.900108
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -9.084
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: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -91.799700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.799700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.799700 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.005
local terms energy: -59.280832
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -98.509796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.509796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.509796 (E_RNA)
where:
Base-Base interactions energy: -50.404
where: short stacking energy: -31.061
Base-Backbone interact. energy: -0.036
local terms energy: -48.069701
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -4.201
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -84.637499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.637499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.637499 (E_RNA)
where:
Base-Base interactions energy: -33.372
where: short stacking energy: -22.822
Base-Backbone interact. energy: -0.290
local terms energy: -50.976316
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -7.632
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -81.742556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.742556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.742556 (E_RNA)
where:
Base-Base interactions energy: -37.311
where: short stacking energy: -21.695
Base-Backbone interact. energy: -0.215
local terms energy: -44.217055
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -4.174
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -231.352258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.352258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.352258 (E_RNA)
where:
Base-Base interactions energy: -158.566
where: short stacking energy: -79.224
Base-Backbone interact. energy: -0.010
local terms energy: -72.775871
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -11.682
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: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -227.460917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.460917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.460917 (E_RNA)
where:
Base-Base interactions energy: -145.865
where: short stacking energy: -72.375
Base-Backbone interact. energy: -0.001
local terms energy: -81.594776
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -21.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -192.628977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.628977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.628977 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -66.216
Base-Backbone interact. energy: -0.010
local terms energy: -63.663120
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -195.415175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.415175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.415175 (E_RNA)
where:
Base-Base interactions energy: -124.135
where: short stacking energy: -53.546
Base-Backbone interact. energy: -0.536
local terms energy: -70.744356
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -9.431
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: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -163.526660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.526660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.526660 (E_RNA)
where:
Base-Base interactions energy: -105.831
where: short stacking energy: -46.825
Base-Backbone interact. energy: 0.062
local terms energy: -57.757947
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -7.566
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: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -176.640587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.640587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.640587 (E_RNA)
where:
Base-Base interactions energy: -120.161
where: short stacking energy: -42.053
Base-Backbone interact. energy: -0.435
local terms energy: -56.044342
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -94.384006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.384006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.384006 (E_RNA)
where:
Base-Base interactions energy: -38.747
where: short stacking energy: -24.134
Base-Backbone interact. energy: -0.085
local terms energy: -55.551259
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -88.077328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.077328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.077328 (E_RNA)
where:
Base-Base interactions energy: -27.406
where: short stacking energy: -27.406
Base-Backbone interact. energy: -0.056
local terms energy: -60.614449
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -92.677716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.677716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.677716 (E_RNA)
where:
Base-Base interactions energy: -38.513
where: short stacking energy: -38.513
Base-Backbone interact. energy: -0.253
local terms energy: -53.911538
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -9.788
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -3.980
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: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -86.488389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.488389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.488389 (E_RNA)
where:
Base-Base interactions energy: -34.392
where: short stacking energy: -33.469
Base-Backbone interact. energy: -0.364
local terms energy: -51.731760
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -6.918
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: 427
Temperature: 0.900000
Total energy: -231.463814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.463814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.463814 (E_RNA)
where:
Base-Base interactions energy: -153.247
where: short stacking energy: -76.298
Base-Backbone interact. energy: -0.507
local terms energy: -77.709418
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -205.488527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.488527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.488527 (E_RNA)
where:
Base-Base interactions energy: -126.255
where: short stacking energy: -65.047
Base-Backbone interact. energy: -0.001
local terms energy: -79.232704
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -22.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -228.855928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.855928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.855928 (E_RNA)
where:
Base-Base interactions energy: -151.661
where: short stacking energy: -72.680
Base-Backbone interact. energy: -0.002
local terms energy: -77.193017
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -13.655
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: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -194.338383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.338383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.338383 (E_RNA)
where:
Base-Base interactions energy: -128.409
where: short stacking energy: -58.786
Base-Backbone interact. energy: -0.526
local terms energy: -65.402931
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -152.633707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.633707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.633707 (E_RNA)
where:
Base-Base interactions energy: -95.695
where: short stacking energy: -48.753
Base-Backbone interact. energy: -0.042
local terms energy: -56.896220
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -174.819131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.819131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.819131 (E_RNA)
where:
Base-Base interactions energy: -120.289
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.102
local terms energy: -54.427482
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -10.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -97.008748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.008748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.008748 (E_RNA)
where:
Base-Base interactions energy: -39.171
where: short stacking energy: -31.310
Base-Backbone interact. energy: -0.155
local terms energy: -57.681933
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -83.017537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.017537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.017537 (E_RNA)
where:
Base-Base interactions energy: -32.329
where: short stacking energy: -32.329
Base-Backbone interact. energy: -0.078
local terms energy: -50.611380
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -88.056507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.056507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.056507 (E_RNA)
where:
Base-Base interactions energy: -40.791
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.066
local terms energy: -47.199081
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -9.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -80.135733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.135733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.135733 (E_RNA)
where:
Base-Base interactions energy: -41.184
where: short stacking energy: -27.773
Base-Backbone interact. energy: 0.095
local terms energy: -39.047388
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -231.766330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.766330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.766330 (E_RNA)
where:
Base-Base interactions energy: -152.964
where: short stacking energy: -72.465
Base-Backbone interact. energy: -0.013
local terms energy: -78.790197
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -212.667662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.667662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.667662 (E_RNA)
where:
Base-Base interactions energy: -134.718
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.012
local terms energy: -77.937894
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -22.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -210.001827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.001827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.001827 (E_RNA)
where:
Base-Base interactions energy: -148.864
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.281
local terms energy: -60.856735
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -222.513649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.513649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.513649 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -60.996
Base-Backbone interact. energy: -0.037
local terms energy: -78.069698
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -20.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -185.126892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.126892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.126892 (E_RNA)
where:
Base-Base interactions energy: -120.792
where: short stacking energy: -45.605
Base-Backbone interact. energy: -0.674
local terms energy: -63.660540
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -119.360835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.360835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.360835 (E_RNA)
where:
Base-Base interactions energy: -74.322
where: short stacking energy: -35.417
Base-Backbone interact. energy: -0.837
local terms energy: -44.202502
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -3.092
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: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -104.420058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.420058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.420058 (E_RNA)
where:
Base-Base interactions energy: -55.653
where: short stacking energy: -31.765
Base-Backbone interact. energy: 1.574
local terms energy: -50.341062
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -0.690
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -96.825926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.825926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.825926 (E_RNA)
where:
Base-Base interactions energy: -43.498
where: short stacking energy: -28.781
Base-Backbone interact. energy: -0.028
local terms energy: -53.299045
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -86.901575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.901575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.901575 (E_RNA)
where:
Base-Base interactions energy: -32.912
where: short stacking energy: -32.801
Base-Backbone interact. energy: -0.016
local terms energy: -53.973486
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -82.654168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.654168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.654168 (E_RNA)
where:
Base-Base interactions energy: -29.773
where: short stacking energy: -29.326
Base-Backbone interact. energy: 0.260
local terms energy: -53.141961
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: 1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -231.625919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.625919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.625919 (E_RNA)
where:
Base-Base interactions energy: -155.990
where: short stacking energy: -74.414
Base-Backbone interact. energy: -0.802
local terms energy: -74.833673
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -213.821540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.821540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.821540 (E_RNA)
where:
Base-Base interactions energy: -143.245
where: short stacking energy: -55.252
Base-Backbone interact. energy: -0.003
local terms energy: -70.573100
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -208.883907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.883907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.883907 (E_RNA)
where:
Base-Base interactions energy: -144.470
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.348
local terms energy: -64.066286
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: -18.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -218.370098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.370098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.370098 (E_RNA)
where:
Base-Base interactions energy: -143.644
where: short stacking energy: -72.456
Base-Backbone interact. energy: 1.775
local terms energy: -76.500923
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -196.590786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.590786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.590786 (E_RNA)
where:
Base-Base interactions energy: -133.134
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.999
local terms energy: -62.458024
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -139.985714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.985714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.985714 (E_RNA)
where:
Base-Base interactions energy: -78.738
where: short stacking energy: -47.917
Base-Backbone interact. energy: -0.060
local terms energy: -61.186943
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -107.795891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.795891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.795891 (E_RNA)
where:
Base-Base interactions energy: -62.639
where: short stacking energy: -46.431
Base-Backbone interact. energy: -0.007
local terms energy: -45.149451
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -7.810
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -91.416220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.416220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.416220 (E_RNA)
where:
Base-Base interactions energy: -46.726
where: short stacking energy: -27.464
Base-Backbone interact. energy: -0.354
local terms energy: -44.336198
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -1.262
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: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -94.288397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.288397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.288397 (E_RNA)
where:
Base-Base interactions energy: -47.229
where: short stacking energy: -35.468
Base-Backbone interact. energy: -2.579
local terms energy: -44.479681
where:
bonds (distance) C4'-P energy: -6.985
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -7.789
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: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -75.291287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.291287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.291287 (E_RNA)
where:
Base-Base interactions energy: -30.689
where: short stacking energy: -26.030
Base-Backbone interact. energy: -0.193
local terms energy: -44.408673
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -7.149
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -231.188519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.188519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.188519 (E_RNA)
where:
Base-Base interactions energy: -151.478
where: short stacking energy: -66.317
Base-Backbone interact. energy: -0.147
local terms energy: -79.563454
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -19.883
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: 430
Temperature: 0.950000
Total energy: -214.182536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.182536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.182536 (E_RNA)
where:
Base-Base interactions energy: -142.528
where: short stacking energy: -65.233
Base-Backbone interact. energy: -0.008
local terms energy: -71.645753
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -3.925
tors. eta vs tors. theta energy: -17.016
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: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -220.975285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.975285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.975285 (E_RNA)
where:
Base-Base interactions energy: -140.855
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.001
local terms energy: -80.119904
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -213.467792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.467792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.467792 (E_RNA)
where:
Base-Base interactions energy: -148.230
where: short stacking energy: -48.751
Base-Backbone interact. energy: -0.188
local terms energy: -65.050295
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -179.137114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.137114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.137114 (E_RNA)
where:
Base-Base interactions energy: -115.343
where: short stacking energy: -53.669
Base-Backbone interact. energy: -0.659
local terms energy: -63.135220
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -9.679
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: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -132.529273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.529273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.529273 (E_RNA)
where:
Base-Base interactions energy: -75.106
where: short stacking energy: -35.265
Base-Backbone interact. energy: -0.024
local terms energy: -57.399743
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -4.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -133.299095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.299095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.299095 (E_RNA)
where:
Base-Base interactions energy: -81.410
where: short stacking energy: -46.566
Base-Backbone interact. energy: -0.411
local terms energy: -51.478639
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -7.264
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -83.185443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.185443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.185443 (E_RNA)
where:
Base-Base interactions energy: -32.613
where: short stacking energy: -28.662
Base-Backbone interact. energy: -0.213
local terms energy: -50.359491
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -77.138602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.138602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.138602 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.035
local terms energy: -47.032461
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -3.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -69.564075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.564075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.564075 (E_RNA)
where:
Base-Base interactions energy: -26.028
where: short stacking energy: -21.785
Base-Backbone interact. energy: -0.439
local terms energy: -43.096462
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -9.283
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -1.345
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: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -232.433284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.433284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.433284 (E_RNA)
where:
Base-Base interactions energy: -157.748
where: short stacking energy: -71.958
Base-Backbone interact. energy: -0.017
local terms energy: -74.668838
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -223.415755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.415755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.415755 (E_RNA)
where:
Base-Base interactions energy: -143.951
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.141
local terms energy: -79.323670
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -205.214801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.214801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.214801 (E_RNA)
where:
Base-Base interactions energy: -141.600
where: short stacking energy: -64.174
Base-Backbone interact. energy: -0.018
local terms energy: -63.596938
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -6.200
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: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -188.346581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.346581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.346581 (E_RNA)
where:
Base-Base interactions energy: -125.135
where: short stacking energy: -48.873
Base-Backbone interact. energy: -0.114
local terms energy: -63.097114
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -9.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -194.336374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.336374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.336374 (E_RNA)
where:
Base-Base interactions energy: -140.243
where: short stacking energy: -48.676
Base-Backbone interact. energy: 0.303
local terms energy: -54.396177
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -152.514076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.514076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.514076 (E_RNA)
where:
Base-Base interactions energy: -85.851
where: short stacking energy: -48.573
Base-Backbone interact. energy: -0.187
local terms energy: -66.476603
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -11.102
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: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -126.295035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.295035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.295035 (E_RNA)
where:
Base-Base interactions energy: -60.420
where: short stacking energy: -31.793
Base-Backbone interact. energy: -1.219
local terms energy: -64.656131
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -94.123160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.123160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.123160 (E_RNA)
where:
Base-Base interactions energy: -36.540
where: short stacking energy: -29.461
Base-Backbone interact. energy: 0.594
local terms energy: -58.177255
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -95.000114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.000114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.000114 (E_RNA)
where:
Base-Base interactions energy: -54.267
where: short stacking energy: -32.808
Base-Backbone interact. energy: -0.500
local terms energy: -40.233288
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: 1.623
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -81.065451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.065451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.065451 (E_RNA)
where:
Base-Base interactions energy: -35.100
where: short stacking energy: -26.684
Base-Backbone interact. energy: -0.107
local terms energy: -45.859386
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -8.609
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: 3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -235.044364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.044364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.044364 (E_RNA)
where:
Base-Base interactions energy: -159.287
where: short stacking energy: -77.268
Base-Backbone interact. energy: -0.003
local terms energy: -75.754820
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -232.668421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.668421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.668421 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -75.904
Base-Backbone interact. energy: -0.012
local terms energy: -80.693382
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -19.422
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: 3, replica: 10
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -200.833466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.833466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.833466 (E_RNA)
where:
Base-Base interactions energy: -132.197
where: short stacking energy: -65.872
Base-Backbone interact. energy: -0.384
local terms energy: -68.252493
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -187.876674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.876674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.876674 (E_RNA)
where:
Base-Base interactions energy: -121.800
where: short stacking energy: -59.895
Base-Backbone interact. energy: -0.088
local terms energy: -65.988981
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -182.544899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.544899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.544899 (E_RNA)
where:
Base-Base interactions energy: -115.608
where: short stacking energy: -46.382
Base-Backbone interact. energy: 0.205
local terms energy: -67.142172
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -10.431
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: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -171.592572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.592572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.592572 (E_RNA)
where:
Base-Base interactions energy: -110.605
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.045
local terms energy: -60.942781
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -133.638516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.638516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.638516 (E_RNA)
where:
Base-Base interactions energy: -78.097
where: short stacking energy: -43.474
Base-Backbone interact. energy: -0.194
local terms energy: -55.347657
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -7.738
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: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -83.668826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.668826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.668826 (E_RNA)
where:
Base-Base interactions energy: -36.968
where: short stacking energy: -16.926
Base-Backbone interact. energy: 0.621
local terms energy: -47.321868
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: 4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -72.674727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.674727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.674727 (E_RNA)
where:
Base-Base interactions energy: -30.451
where: short stacking energy: -29.082
Base-Backbone interact. energy: -0.522
local terms energy: -41.701736
where:
bonds (distance) C4'-P energy: -5.826
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -71.808222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.808222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.808222 (E_RNA)
where:
Base-Base interactions energy: -19.098
where: short stacking energy: -19.098
Base-Backbone interact. energy: -0.098
local terms energy: -52.611947
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -233.462402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.462402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.462402 (E_RNA)
where:
Base-Base interactions energy: -153.428
where: short stacking energy: -77.681
Base-Backbone interact. energy: -0.009
local terms energy: -80.025406
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -18.581
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -225.761664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.761664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.761664 (E_RNA)
where:
Base-Base interactions energy: -150.151
where: short stacking energy: -69.610
Base-Backbone interact. energy: -0.003
local terms energy: -75.607584
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -189.362038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.362038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.362038 (E_RNA)
where:
Base-Base interactions energy: -123.894
where: short stacking energy: -66.535
Base-Backbone interact. energy: 0.671
local terms energy: -66.138659
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -6.498
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -183.110991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.110991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.110991 (E_RNA)
where:
Base-Base interactions energy: -128.044
where: short stacking energy: -41.810
Base-Backbone interact. energy: -0.130
local terms energy: -54.936775
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -1.218
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -183.126209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.126209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.126209 (E_RNA)
where:
Base-Base interactions energy: -120.047
where: short stacking energy: -59.758
Base-Backbone interact. energy: 0.940
local terms energy: -64.018543
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -175.795592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.795592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.795592 (E_RNA)
where:
Base-Base interactions energy: -107.477
where: short stacking energy: -52.266
Base-Backbone interact. energy: 1.216
local terms energy: -69.534917
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -17.203
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: 433
Temperature: 1.200000
Total energy: -133.181003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.181003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.181003 (E_RNA)
where:
Base-Base interactions energy: -81.159
where: short stacking energy: -46.627
Base-Backbone interact. energy: -0.010
local terms energy: -52.011334
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -11.592
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: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -86.122333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.122333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.122333 (E_RNA)
where:
Base-Base interactions energy: -27.178
where: short stacking energy: -22.386
Base-Backbone interact. energy: -0.812
local terms energy: -58.132725
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -85.292343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.292343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.292343 (E_RNA)
where:
Base-Base interactions energy: -33.500
where: short stacking energy: -29.319
Base-Backbone interact. energy: -0.097
local terms energy: -51.695693
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -2.750
tors. eta vs tors. theta energy: -7.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -79.751772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.751772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.751772 (E_RNA)
where:
Base-Base interactions energy: -35.202
where: short stacking energy: -29.010
Base-Backbone interact. energy: -0.143
local terms energy: -44.407210
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -229.815337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.815337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.815337 (E_RNA)
where:
Base-Base interactions energy: -155.358
where: short stacking energy: -73.243
Base-Backbone interact. energy: -0.160
local terms energy: -74.297349
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -19.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -222.160048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.160048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.160048 (E_RNA)
where:
Base-Base interactions energy: -149.270
where: short stacking energy: -64.685
Base-Backbone interact. energy: -0.757
local terms energy: -72.133487
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -10.372
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: 3, replica: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -190.485396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.485396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.485396 (E_RNA)
where:
Base-Base interactions energy: -121.893
where: short stacking energy: -59.173
Base-Backbone interact. energy: -0.712
local terms energy: -67.880772
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -175.055943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.055943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.055943 (E_RNA)
where:
Base-Base interactions energy: -114.770
where: short stacking energy: -56.081
Base-Backbone interact. energy: -0.311
local terms energy: -59.975358
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -186.986505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.986505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.986505 (E_RNA)
where:
Base-Base interactions energy: -114.967
where: short stacking energy: -53.618
Base-Backbone interact. energy: -0.038
local terms energy: -71.981717
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -15.893
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: 4
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -169.299868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.299868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.299868 (E_RNA)
where:
Base-Base interactions energy: -110.832
where: short stacking energy: -55.910
Base-Backbone interact. energy: -0.491
local terms energy: -57.977006
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -7.508
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -134.450424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.450424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.450424 (E_RNA)
where:
Base-Base interactions energy: -71.884
where: short stacking energy: -39.314
Base-Backbone interact. energy: -0.043
local terms energy: -62.523818
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -76.404207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.404207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.404207 (E_RNA)
where:
Base-Base interactions energy: -30.042
where: short stacking energy: -28.992
Base-Backbone interact. energy: -0.088
local terms energy: -46.273782
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -6.623
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: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -87.567977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.567977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.567977 (E_RNA)
where:
Base-Base interactions energy: -46.757
where: short stacking energy: -31.212
Base-Backbone interact. energy: -0.392
local terms energy: -40.418853
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -8.129
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -70.636461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.636461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.636461 (E_RNA)
where:
Base-Base interactions energy: -29.026
where: short stacking energy: -18.611
Base-Backbone interact. energy: -0.171
local terms energy: -41.439452
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -6.295
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: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -229.969880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.969880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.969880 (E_RNA)
where:
Base-Base interactions energy: -153.557
where: short stacking energy: -70.967
Base-Backbone interact. energy: 0.615
local terms energy: -77.027450
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -226.428529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.428529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.428529 (E_RNA)
where:
Base-Base interactions energy: -145.920
where: short stacking energy: -73.172
Base-Backbone interact. energy: -0.280
local terms energy: -80.228293
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -21.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -190.803930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.803930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.803930 (E_RNA)
where:
Base-Base interactions energy: -126.749
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.052
local terms energy: -64.003669
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -204.956711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.956711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.956711 (E_RNA)
where:
Base-Base interactions energy: -136.280
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.144
local terms energy: -68.532494
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -183.303845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.303845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.303845 (E_RNA)
where:
Base-Base interactions energy: -124.167
where: short stacking energy: -70.298
Base-Backbone interact. energy: -0.029
local terms energy: -59.107532
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -175.185046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.185046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.185046 (E_RNA)
where:
Base-Base interactions energy: -112.173
where: short stacking energy: -57.173
Base-Backbone interact. energy: 0.372
local terms energy: -63.383784
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -139.408239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.408239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.408239 (E_RNA)
where:
Base-Base interactions energy: -91.187
where: short stacking energy: -48.076
Base-Backbone interact. energy: -0.224
local terms energy: -47.997510
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -7.664
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -107.219064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.219064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.219064 (E_RNA)
where:
Base-Base interactions energy: -50.089
where: short stacking energy: -38.427
Base-Backbone interact. energy: -0.014
local terms energy: -57.115563
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -88.852267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.852267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.852267 (E_RNA)
where:
Base-Base interactions energy: -28.157
where: short stacking energy: -27.328
Base-Backbone interact. energy: -0.669
local terms energy: -60.025385
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -88.676252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.676252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.676252 (E_RNA)
where:
Base-Base interactions energy: -49.865
where: short stacking energy: -17.360
Base-Backbone interact. energy: 0.668
local terms energy: -39.478906
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: 7.495
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: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -237.341125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.341125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.341125 (E_RNA)
where:
Base-Base interactions energy: -150.994
where: short stacking energy: -70.531
Base-Backbone interact. energy: -0.000
local terms energy: -86.346765
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -23.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -232.414816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.414816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.414816 (E_RNA)
where:
Base-Base interactions energy: -158.080
where: short stacking energy: -78.729
Base-Backbone interact. energy: -0.002
local terms energy: -74.332826
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -190.260318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.260318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.260318 (E_RNA)
where:
Base-Base interactions energy: -115.833
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.109
local terms energy: -74.318853
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -187.815583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.815583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.815583 (E_RNA)
where:
Base-Base interactions energy: -124.225
where: short stacking energy: -56.326
Base-Backbone interact. energy: -0.089
local terms energy: -63.501562
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -12.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -195.273659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.273659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.273659 (E_RNA)
where:
Base-Base interactions energy: -129.089
where: short stacking energy: -56.123
Base-Backbone interact. energy: -0.943
local terms energy: -65.241399
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -183.099141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.099141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.099141 (E_RNA)
where:
Base-Base interactions energy: -118.004
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.048
local terms energy: -65.047383
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -8.532
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -13.987
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: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -98.199137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.199137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.199137 (E_RNA)
where:
Base-Base interactions energy: -52.863
where: short stacking energy: -30.518
Base-Backbone interact. energy: -0.482
local terms energy: -44.854388
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -7.462
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: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -133.994025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.994025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.994025 (E_RNA)
where:
Base-Base interactions energy: -79.018
where: short stacking energy: -33.739
Base-Backbone interact. energy: -0.666
local terms energy: -54.310013
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -7.233
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: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -79.073243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.073243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.073243 (E_RNA)
where:
Base-Base interactions energy: -29.049
where: short stacking energy: -29.249
Base-Backbone interact. energy: -0.215
local terms energy: -49.809754
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -77.834619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.834619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.834619 (E_RNA)
where:
Base-Base interactions energy: -27.604
where: short stacking energy: -21.058
Base-Backbone interact. energy: -0.699
local terms energy: -49.531612
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -218.104107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.104107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.104107 (E_RNA)
where:
Base-Base interactions energy: -148.489
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.118
local terms energy: -69.497106
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -228.242782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.242782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.242782 (E_RNA)
where:
Base-Base interactions energy: -153.675
where: short stacking energy: -76.369
Base-Backbone interact. energy: -0.001
local terms energy: -74.566508
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -186.714477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.714477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.714477 (E_RNA)
where:
Base-Base interactions energy: -119.585
where: short stacking energy: -42.379
Base-Backbone interact. energy: -1.485
local terms energy: -65.644208
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -201.770439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.770439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.770439 (E_RNA)
where:
Base-Base interactions energy: -134.331
where: short stacking energy: -51.160
Base-Backbone interact. energy: 0.202
local terms energy: -67.641561
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -191.107955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.107955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.107955 (E_RNA)
where:
Base-Base interactions energy: -123.628
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.004
local terms energy: -67.476311
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -188.732071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.732071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.732071 (E_RNA)
where:
Base-Base interactions energy: -119.936
where: short stacking energy: -66.048
Base-Backbone interact. energy: -0.638
local terms energy: -68.157853
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -18.994
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: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -102.432928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.432928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.432928 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -33.819
Base-Backbone interact. energy: -0.015
local terms energy: -67.825605
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -139.722874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.722874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.722874 (E_RNA)
where:
Base-Base interactions energy: -77.817
where: short stacking energy: -38.257
Base-Backbone interact. energy: -0.415
local terms energy: -61.490659
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -11.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -75.105202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.105202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.105202 (E_RNA)
where:
Base-Base interactions energy: -22.843
where: short stacking energy: -20.654
Base-Backbone interact. energy: -0.078
local terms energy: -52.184782
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -6.619
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: 10, replica: 5
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -78.021504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.021504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.021504 (E_RNA)
where:
Base-Base interactions energy: -30.629
where: short stacking energy: -23.922
Base-Backbone interact. energy: 1.079
local terms energy: -48.471445
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: 1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -223.357385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.357385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.357385 (E_RNA)
where:
Base-Base interactions energy: -143.026
where: short stacking energy: -65.540
Base-Backbone interact. energy: -0.345
local terms energy: -79.986142
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -220.531921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.531921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.531921 (E_RNA)
where:
Base-Base interactions energy: -144.034
where: short stacking energy: -65.244
Base-Backbone interact. energy: -0.047
local terms energy: -76.451515
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -217.901446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.901446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.901446 (E_RNA)
where:
Base-Base interactions energy: -150.330
where: short stacking energy: -58.379
Base-Backbone interact. energy: -0.180
local terms energy: -67.391141
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -12.256
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: 4, replica: 6
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -184.448921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.448921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.448921 (E_RNA)
where:
Base-Base interactions energy: -119.733
where: short stacking energy: -56.239
Base-Backbone interact. energy: -0.073
local terms energy: -64.642231
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -13.785
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: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -186.300160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.300160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.300160 (E_RNA)
where:
Base-Base interactions energy: -113.141
where: short stacking energy: -55.364
Base-Backbone interact. energy: -0.073
local terms energy: -73.085556
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -189.371235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.371235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.371235 (E_RNA)
where:
Base-Base interactions energy: -117.512
where: short stacking energy: -51.229
Base-Backbone interact. energy: -0.124
local terms energy: -71.734466
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -131.260472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.260472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.260472 (E_RNA)
where:
Base-Base interactions energy: -77.236
where: short stacking energy: -42.965
Base-Backbone interact. energy: -0.193
local terms energy: -53.831558
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -86.745670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.745670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.745670 (E_RNA)
where:
Base-Base interactions energy: -34.928
where: short stacking energy: -33.909
Base-Backbone interact. energy: -0.445
local terms energy: -51.372776
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -83.188141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.188141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.188141 (E_RNA)
where:
Base-Base interactions energy: -27.403
where: short stacking energy: -22.368
Base-Backbone interact. energy: -0.284
local terms energy: -55.500598
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -3.215
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: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -70.979217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.979217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.979217 (E_RNA)
where:
Base-Base interactions energy: -23.923
where: short stacking energy: -23.923
Base-Backbone interact. energy: -0.175
local terms energy: -46.881641
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -4.878
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -220.419186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.419186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.419186 (E_RNA)
where:
Base-Base interactions energy: -138.999
where: short stacking energy: -72.398
Base-Backbone interact. energy: 0.893
local terms energy: -82.313732
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -208.688835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.688835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.688835 (E_RNA)
where:
Base-Base interactions energy: -151.912
where: short stacking energy: -52.118
Base-Backbone interact. energy: 0.489
local terms energy: -57.265291
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -10.301
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: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -222.098850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.098850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.098850 (E_RNA)
where:
Base-Base interactions energy: -144.580
where: short stacking energy: -64.475
Base-Backbone interact. energy: -0.071
local terms energy: -77.448441
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -187.365951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.365951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.365951 (E_RNA)
where:
Base-Base interactions energy: -118.880
where: short stacking energy: -62.063
Base-Backbone interact. energy: -0.197
local terms energy: -68.288419
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -188.528895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.528895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.528895 (E_RNA)
where:
Base-Base interactions energy: -133.797
where: short stacking energy: -62.429
Base-Backbone interact. energy: 0.487
local terms energy: -55.218458
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -15.902
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: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -183.772813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.772813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.772813 (E_RNA)
where:
Base-Base interactions energy: -112.284
where: short stacking energy: -56.294
Base-Backbone interact. energy: -0.100
local terms energy: -71.388861
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -130.236411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.236411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.236411 (E_RNA)
where:
Base-Base interactions energy: -65.519
where: short stacking energy: -37.231
Base-Backbone interact. energy: -0.050
local terms energy: -64.667490
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -109.793278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.793278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.793278 (E_RNA)
where:
Base-Base interactions energy: -50.756
where: short stacking energy: -40.236
Base-Backbone interact. energy: -0.316
local terms energy: -58.721243
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -90.240947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240947 (E_RNA)
where:
Base-Base interactions energy: -34.047
where: short stacking energy: -31.809
Base-Backbone interact. energy: -0.001
local terms energy: -56.193043
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -77.868239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.868239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.868239 (E_RNA)
where:
Base-Base interactions energy: -32.095
where: short stacking energy: -22.711
Base-Backbone interact. energy: -0.263
local terms energy: -45.510057
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -1.751
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: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -208.239592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.239592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.239592 (E_RNA)
where:
Base-Base interactions energy: -141.925
where: short stacking energy: -51.788
Base-Backbone interact. energy: -0.109
local terms energy: -66.204671
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -210.516446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.516446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.516446 (E_RNA)
where:
Base-Base interactions energy: -140.075
where: short stacking energy: -70.574
Base-Backbone interact. energy: -0.004
local terms energy: -70.436930
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -21.139
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: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -217.905854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.905854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.905854 (E_RNA)
where:
Base-Base interactions energy: -140.112
where: short stacking energy: -66.933
Base-Backbone interact. energy: -0.001
local terms energy: -77.792839
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -185.192537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.192537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.192537 (E_RNA)
where:
Base-Base interactions energy: -127.708
where: short stacking energy: -62.513
Base-Backbone interact. energy: -0.421
local terms energy: -57.064008
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -11.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -194.967450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.967450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.967450 (E_RNA)
where:
Base-Base interactions energy: -122.462
where: short stacking energy: -63.229
Base-Backbone interact. energy: -0.118
local terms energy: -72.387441
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -190.758919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.758919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.758919 (E_RNA)
where:
Base-Base interactions energy: -134.831
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.320
local terms energy: -55.607802
where:
bonds (distance) C4'-P energy: -4.871
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -135.253248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.253248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.253248 (E_RNA)
where:
Base-Base interactions energy: -82.151
where: short stacking energy: -56.998
Base-Backbone interact. energy: -0.201
local terms energy: -52.901652
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -93.092370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.092370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.092370 (E_RNA)
where:
Base-Base interactions energy: -44.141
where: short stacking energy: -37.883
Base-Backbone interact. energy: -0.052
local terms energy: -48.898768
where:
bonds (distance) C4'-P energy: -7.689
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.000
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: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -90.168419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.168419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.168419 (E_RNA)
where:
Base-Base interactions energy: -36.384
where: short stacking energy: -36.384
Base-Backbone interact. energy: -0.007
local terms energy: -53.776841
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -9.155
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -10.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -87.977076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.977076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.977076 (E_RNA)
where:
Base-Base interactions energy: -43.707
where: short stacking energy: -31.160
Base-Backbone interact. energy: -0.029
local terms energy: -44.241275
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -209.482833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.482833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.482833 (E_RNA)
where:
Base-Base interactions energy: -134.804
where: short stacking energy: -61.857
Base-Backbone interact. energy: -0.016
local terms energy: -74.663055
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -219.953764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.953764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.953764 (E_RNA)
where:
Base-Base interactions energy: -147.832
where: short stacking energy: -72.226
Base-Backbone interact. energy: 0.257
local terms energy: -72.378553
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -16.994
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: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -200.835678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.835678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.835678 (E_RNA)
where:
Base-Base interactions energy: -130.026
where: short stacking energy: -72.183
Base-Backbone interact. energy: -0.152
local terms energy: -70.657659
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -191.938837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.938837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.938837 (E_RNA)
where:
Base-Base interactions energy: -118.722
where: short stacking energy: -61.948
Base-Backbone interact. energy: -0.002
local terms energy: -73.215363
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.689
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: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -184.598851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.598851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.598851 (E_RNA)
where:
Base-Base interactions energy: -131.153
where: short stacking energy: -49.800
Base-Backbone interact. energy: -0.394
local terms energy: -53.051393
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -178.667275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.667275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.667275 (E_RNA)
where:
Base-Base interactions energy: -116.570
where: short stacking energy: -55.111
Base-Backbone interact. energy: -0.155
local terms energy: -61.942035
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -146.631834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.631834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.631834 (E_RNA)
where:
Base-Base interactions energy: -82.956
where: short stacking energy: -51.869
Base-Backbone interact. energy: -0.792
local terms energy: -62.883118
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -12.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -91.639981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.639981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.639981 (E_RNA)
where:
Base-Base interactions energy: -39.937
where: short stacking energy: -29.302
Base-Backbone interact. energy: 0.210
local terms energy: -51.913183
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -75.790771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.790771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.790771 (E_RNA)
where:
Base-Base interactions energy: -26.267
where: short stacking energy: -21.760
Base-Backbone interact. energy: -0.803
local terms energy: -48.721507
where:
bonds (distance) C4'-P energy: -5.355
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -78.424440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.424440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.424440 (E_RNA)
where:
Base-Base interactions energy: -26.151
where: short stacking energy: -26.151
Base-Backbone interact. energy: -0.237
local terms energy: -52.035828
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -232.381559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.381559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.381559 (E_RNA)
where:
Base-Base interactions energy: -156.159
where: short stacking energy: -76.968
Base-Backbone interact. energy: -0.001
local terms energy: -76.221578
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -215.669886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.669886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.669886 (E_RNA)
where:
Base-Base interactions energy: -142.672
where: short stacking energy: -61.691
Base-Backbone interact. energy: -0.887
local terms energy: -72.111012
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -212.413363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.413363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.413363 (E_RNA)
where:
Base-Base interactions energy: -136.683
where: short stacking energy: -68.649
Base-Backbone interact. energy: -0.211
local terms energy: -75.519226
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -187.072963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.072963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.072963 (E_RNA)
where:
Base-Base interactions energy: -122.857
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.413
local terms energy: -63.802524
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -182.890217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.890217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.890217 (E_RNA)
where:
Base-Base interactions energy: -119.795
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.153
local terms energy: -62.941680
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -171.495796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.495796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.495796 (E_RNA)
where:
Base-Base interactions energy: -107.360
where: short stacking energy: -50.952
Base-Backbone interact. energy: -0.004
local terms energy: -64.132057
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -162.948059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.948059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.948059 (E_RNA)
where:
Base-Base interactions energy: -103.135
where: short stacking energy: -54.870
Base-Backbone interact. energy: -0.004
local terms energy: -59.808826
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -88.417992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.417992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.417992 (E_RNA)
where:
Base-Base interactions energy: -44.068
where: short stacking energy: -29.360
Base-Backbone interact. energy: -1.211
local terms energy: -43.139380
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: 0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -74.634116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.634116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.634116 (E_RNA)
where:
Base-Base interactions energy: -33.670
where: short stacking energy: -33.670
Base-Backbone interact. energy: -0.096
local terms energy: -40.868562
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -4.085
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -77.202862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.202862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.202862 (E_RNA)
where:
Base-Base interactions energy: -31.217
where: short stacking energy: -31.217
Base-Backbone interact. energy: -0.056
local terms energy: -45.929056
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -8.751
flat angles C4'-P-C4' energy: -7.518
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -5.470
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: 443
Temperature: 0.900000
Total energy: -232.552931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.552931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.552931 (E_RNA)
where:
Base-Base interactions energy: -153.177
where: short stacking energy: -73.574
Base-Backbone interact. energy: 0.460
local terms energy: -79.835219
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -18.958
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: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -225.648237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.648237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.648237 (E_RNA)
where:
Base-Base interactions energy: -146.358
where: short stacking energy: -74.697
Base-Backbone interact. energy: 0.156
local terms energy: -79.445918
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -212.069395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.069395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.069395 (E_RNA)
where:
Base-Base interactions energy: -146.179
where: short stacking energy: -61.269
Base-Backbone interact. energy: -0.533
local terms energy: -65.357426
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -183.444712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.444712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.444712 (E_RNA)
where:
Base-Base interactions energy: -120.940
where: short stacking energy: -59.250
Base-Backbone interact. energy: -0.335
local terms energy: -62.170366
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -186.501113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.501113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.501113 (E_RNA)
where:
Base-Base interactions energy: -114.412
where: short stacking energy: -49.527
Base-Backbone interact. energy: -0.010
local terms energy: -72.078371
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -165.983745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.983745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.983745 (E_RNA)
where:
Base-Base interactions energy: -104.490
where: short stacking energy: -42.578
Base-Backbone interact. energy: -0.301
local terms energy: -61.192630
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -139.743366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.743366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.743366 (E_RNA)
where:
Base-Base interactions energy: -79.808
where: short stacking energy: -41.259
Base-Backbone interact. energy: -0.086
local terms energy: -59.848814
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -5.884
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: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -96.029719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.029719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.029719 (E_RNA)
where:
Base-Base interactions energy: -41.914
where: short stacking energy: -41.914
Base-Backbone interact. energy: -0.031
local terms energy: -54.084526
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -80.675516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.675516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.675516 (E_RNA)
where:
Base-Base interactions energy: -30.970
where: short stacking energy: -30.970
Base-Backbone interact. energy: -0.495
local terms energy: -49.210535
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -78.213004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.213004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.213004 (E_RNA)
where:
Base-Base interactions energy: -23.281
where: short stacking energy: -23.255
Base-Backbone interact. energy: -0.072
local terms energy: -54.860007
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -228.810516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.810516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.810516 (E_RNA)
where:
Base-Base interactions energy: -150.730
where: short stacking energy: -74.155
Base-Backbone interact. energy: -0.165
local terms energy: -77.915605
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -12.145
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: 2, replica: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -228.909931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.909931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.909931 (E_RNA)
where:
Base-Base interactions energy: -148.205
where: short stacking energy: -79.693
Base-Backbone interact. energy: 1.682
local terms energy: -82.386808
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -208.178054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.178054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.178054 (E_RNA)
where:
Base-Base interactions energy: -134.927
where: short stacking energy: -65.371
Base-Backbone interact. energy: 1.493
local terms energy: -74.744348
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -199.188267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.188267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.188267 (E_RNA)
where:
Base-Base interactions energy: -128.927
where: short stacking energy: -60.699
Base-Backbone interact. energy: -0.103
local terms energy: -70.158423
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -174.703390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.703390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.703390 (E_RNA)
where:
Base-Base interactions energy: -110.365
where: short stacking energy: -54.270
Base-Backbone interact. energy: -0.039
local terms energy: -64.298624
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -184.990895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.990895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.990895 (E_RNA)
where:
Base-Base interactions energy: -114.931
where: short stacking energy: -54.302
Base-Backbone interact. energy: -1.510
local terms energy: -68.550017
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -150.334582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.334582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.334582 (E_RNA)
where:
Base-Base interactions energy: -90.549
where: short stacking energy: -46.663
Base-Backbone interact. energy: -0.011
local terms energy: -59.774471
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -12.838
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: 444
Temperature: 1.250000
Total energy: -82.896535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.896535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.896535 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -27.768
Base-Backbone interact. energy: -0.076
local terms energy: -51.307351
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -75.413437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.413437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.413437 (E_RNA)
where:
Base-Base interactions energy: -31.604
where: short stacking energy: -26.195
Base-Backbone interact. energy: -0.013
local terms energy: -43.796726
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -2.548
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: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -75.434204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.434204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.434204 (E_RNA)
where:
Base-Base interactions energy: -26.563
where: short stacking energy: -26.151
Base-Backbone interact. energy: -0.186
local terms energy: -48.685771
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -232.345651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.345651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.345651 (E_RNA)
where:
Base-Base interactions energy: -155.227
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.320
local terms energy: -76.799261
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -209.822716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.822716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.822716 (E_RNA)
where:
Base-Base interactions energy: -131.694
where: short stacking energy: -64.577
Base-Backbone interact. energy: -0.330
local terms energy: -77.798918
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -199.791093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.791093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.791093 (E_RNA)
where:
Base-Base interactions energy: -129.816
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.656
local terms energy: -69.319201
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -196.248048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.248048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.248048 (E_RNA)
where:
Base-Base interactions energy: -126.956
where: short stacking energy: -63.567
Base-Backbone interact. energy: -0.058
local terms energy: -69.234473
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -180.719594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.719594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.719594 (E_RNA)
where:
Base-Base interactions energy: -122.525
where: short stacking energy: -60.619
Base-Backbone interact. energy: -0.001
local terms energy: -58.193169
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -10.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -200.708250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.708250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.708250 (E_RNA)
where:
Base-Base interactions energy: -130.135
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.042
local terms energy: -70.531055
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -19.578
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: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -134.053173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.053173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.053173 (E_RNA)
where:
Base-Base interactions energy: -78.825
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.147
local terms energy: -55.081542
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -8.872
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: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -91.489837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.489837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.489837 (E_RNA)
where:
Base-Base interactions energy: -37.168
where: short stacking energy: -35.237
Base-Backbone interact. energy: -0.143
local terms energy: -54.179128
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -4.530
tors. eta vs tors. theta energy: -3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -88.146189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.146189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.146189 (E_RNA)
where:
Base-Base interactions energy: -34.098
where: short stacking energy: -33.455
Base-Backbone interact. energy: -0.713
local terms energy: -53.335652
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -72.100609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.100609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.100609 (E_RNA)
where:
Base-Base interactions energy: -25.025
where: short stacking energy: -24.726
Base-Backbone interact. energy: -0.177
local terms energy: -46.899341
where:
bonds (distance) C4'-P energy: -5.702
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -0.316
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: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -227.683145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.683145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.683145 (E_RNA)
where:
Base-Base interactions energy: -147.642
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.009
local terms energy: -80.031829
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -216.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.753586 (E_RNA)
where:
Base-Base interactions energy: -141.708
where: short stacking energy: -68.289
Base-Backbone interact. energy: 0.100
local terms energy: -75.146339
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -17.489
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: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -193.803988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.803988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.803988 (E_RNA)
where:
Base-Base interactions energy: -129.302
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.577
local terms energy: -63.925096
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -179.956489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.956489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.956489 (E_RNA)
where:
Base-Base interactions energy: -117.060
where: short stacking energy: -56.919
Base-Backbone interact. energy: -0.097
local terms energy: -62.799140
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -13.666
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: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -174.526138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.526138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.526138 (E_RNA)
where:
Base-Base interactions energy: -111.800
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.001
local terms energy: -62.724313
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -178.886692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.886692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.886692 (E_RNA)
where:
Base-Base interactions energy: -110.295
where: short stacking energy: -65.078
Base-Backbone interact. energy: -0.021
local terms energy: -68.570861
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -128.918731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.918731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.918731 (E_RNA)
where:
Base-Base interactions energy: -65.411
where: short stacking energy: -33.546
Base-Backbone interact. energy: -0.877
local terms energy: -62.630919
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -95.034443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.034443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.034443 (E_RNA)
where:
Base-Base interactions energy: -37.699
where: short stacking energy: -37.699
Base-Backbone interact. energy: -0.007
local terms energy: -57.328767
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -83.984726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.984726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.984726 (E_RNA)
where:
Base-Base interactions energy: -39.138
where: short stacking energy: -37.995
Base-Backbone interact. energy: -0.011
local terms energy: -44.835770
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.204
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: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -72.564347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.564347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.564347 (E_RNA)
where:
Base-Base interactions energy: -27.084
where: short stacking energy: -20.208
Base-Backbone interact. energy: -0.283
local terms energy: -45.198244
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -10.536
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: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -223.334308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.334308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.334308 (E_RNA)
where:
Base-Base interactions energy: -147.821
where: short stacking energy: -69.478
Base-Backbone interact. energy: -0.283
local terms energy: -75.230621
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -21.640
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: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -228.876512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.876512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.876512 (E_RNA)
where:
Base-Base interactions energy: -148.828
where: short stacking energy: -70.039
Base-Backbone interact. energy: -1.102
local terms energy: -78.946994
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -201.895060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.895060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.895060 (E_RNA)
where:
Base-Base interactions energy: -141.673
where: short stacking energy: -51.089
Base-Backbone interact. energy: -0.034
local terms energy: -60.187360
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -190.046335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.046335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.046335 (E_RNA)
where:
Base-Base interactions energy: -119.530
where: short stacking energy: -57.858
Base-Backbone interact. energy: -0.030
local terms energy: -70.486491
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -13.081
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: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -189.873351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.873351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.873351 (E_RNA)
where:
Base-Base interactions energy: -123.149
where: short stacking energy: -52.247
Base-Backbone interact. energy: -0.163
local terms energy: -66.560784
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -187.767988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.767988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.767988 (E_RNA)
where:
Base-Base interactions energy: -125.409
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.005
local terms energy: -62.353640
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -17.624
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: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -130.688757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.688757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.688757 (E_RNA)
where:
Base-Base interactions energy: -79.523
where: short stacking energy: -47.079
Base-Backbone interact. energy: -0.361
local terms energy: -50.804770
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -4.948
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: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -84.722829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.722829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.722829 (E_RNA)
where:
Base-Base interactions energy: -31.869
where: short stacking energy: -26.344
Base-Backbone interact. energy: -0.041
local terms energy: -52.812543
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -2.791
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: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -73.242750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.242750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.242750 (E_RNA)
where:
Base-Base interactions energy: -24.440
where: short stacking energy: -16.837
Base-Backbone interact. energy: -0.307
local terms energy: -48.496142
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -3.296
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: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -75.797196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.797196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.797196 (E_RNA)
where:
Base-Base interactions energy: -22.393
where: short stacking energy: -22.233
Base-Backbone interact. energy: -0.072
local terms energy: -53.332135
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -1.883
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: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -233.177171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.177171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.177171 (E_RNA)
where:
Base-Base interactions energy: -152.915
where: short stacking energy: -73.080
Base-Backbone interact. energy: -0.006
local terms energy: -80.256028
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -211.378695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.378695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.378695 (E_RNA)
where:
Base-Base interactions energy: -141.126
where: short stacking energy: -65.454
Base-Backbone interact. energy: 0.661
local terms energy: -70.914056
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -193.369699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.369699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.369699 (E_RNA)
where:
Base-Base interactions energy: -113.741
where: short stacking energy: -56.319
Base-Backbone interact. energy: -0.090
local terms energy: -79.538243
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -17.601
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: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -193.339796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.339796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.339796 (E_RNA)
where:
Base-Base interactions energy: -123.754
where: short stacking energy: -62.167
Base-Backbone interact. energy: 0.127
local terms energy: -69.712830
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.655
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: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -205.167057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.167057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.167057 (E_RNA)
where:
Base-Base interactions energy: -142.441
where: short stacking energy: -65.588
Base-Backbone interact. energy: -0.000
local terms energy: -62.725166
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -179.133427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.133427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.133427 (E_RNA)
where:
Base-Base interactions energy: -115.028
where: short stacking energy: -43.569
Base-Backbone interact. energy: -0.131
local terms energy: -63.974682
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -10.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -125.992864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.992864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.992864 (E_RNA)
where:
Base-Base interactions energy: -75.756
where: short stacking energy: -40.204
Base-Backbone interact. energy: 0.503
local terms energy: -50.739004
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -84.733826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.733826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.733826 (E_RNA)
where:
Base-Base interactions energy: -34.492
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.030
local terms energy: -50.212637
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -5.452
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: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -76.023321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.023321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.023321 (E_RNA)
where:
Base-Base interactions energy: -31.821
where: short stacking energy: -21.639
Base-Backbone interact. energy: -0.420
local terms energy: -43.782471
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -7.459
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -81.401061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.401061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.401061 (E_RNA)
where:
Base-Base interactions energy: -30.025
where: short stacking energy: -25.723
Base-Backbone interact. energy: -0.097
local terms energy: -51.278847
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -10.568
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: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -230.328121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.328121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.328121 (E_RNA)
where:
Base-Base interactions energy: -155.095
where: short stacking energy: -77.024
Base-Backbone interact. energy: -0.631
local terms energy: -74.602058
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -8.470
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: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -225.121617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.121617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.121617 (E_RNA)
where:
Base-Base interactions energy: -155.012
where: short stacking energy: -68.872
Base-Backbone interact. energy: 0.147
local terms energy: -70.257174
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -190.160276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.160276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.160276 (E_RNA)
where:
Base-Base interactions energy: -127.136
where: short stacking energy: -55.448
Base-Backbone interact. energy: -0.109
local terms energy: -62.915555
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -189.706069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.706069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.706069 (E_RNA)
where:
Base-Base interactions energy: -127.127
where: short stacking energy: -50.465
Base-Backbone interact. energy: -0.051
local terms energy: -62.528656
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -8.031
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: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -184.539675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.539675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.539675 (E_RNA)
where:
Base-Base interactions energy: -116.032
where: short stacking energy: -56.728
Base-Backbone interact. energy: 0.575
local terms energy: -69.082508
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -180.014535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.014535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.014535 (E_RNA)
where:
Base-Base interactions energy: -118.863
where: short stacking energy: -52.107
Base-Backbone interact. energy: 1.399
local terms energy: -62.551360
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -125.006471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.006471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.006471 (E_RNA)
where:
Base-Base interactions energy: -70.262
where: short stacking energy: -42.852
Base-Backbone interact. energy: -0.043
local terms energy: -54.701516
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -10.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -85.103288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.103288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.103288 (E_RNA)
where:
Base-Base interactions energy: -31.288
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.580
local terms energy: -53.234862
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -3.948
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: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -82.734831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.734831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.734831 (E_RNA)
where:
Base-Base interactions energy: -31.996
where: short stacking energy: -31.996
Base-Backbone interact. energy: -0.049
local terms energy: -50.689777
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -6.531
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -8.281
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: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -82.615011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.615011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.615011 (E_RNA)
where:
Base-Base interactions energy: -42.238
where: short stacking energy: -26.871
Base-Backbone interact. energy: 0.005
local terms energy: -40.381790
where:
bonds (distance) C4'-P energy: -5.764
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: 0.717
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: 450
Temperature: 0.900000
Total energy: -240.221146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.221146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.221146 (E_RNA)
where:
Base-Base interactions energy: -160.795
where: short stacking energy: -73.371
Base-Backbone interact. energy: -0.032
local terms energy: -79.393678
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -229.607011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.607011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.607011 (E_RNA)
where:
Base-Base interactions energy: -155.189
where: short stacking energy: -74.413
Base-Backbone interact. energy: -0.003
local terms energy: -74.414993
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -188.539332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.539332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.539332 (E_RNA)
where:
Base-Base interactions energy: -126.268
where: short stacking energy: -64.904
Base-Backbone interact. energy: -0.005
local terms energy: -62.266969
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -16.810
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: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -200.556657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.556657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.556657 (E_RNA)
where:
Base-Base interactions energy: -131.197
where: short stacking energy: -66.242
Base-Backbone interact. energy: -0.020
local terms energy: -69.339757
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -183.579368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.579368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.579368 (E_RNA)
where:
Base-Base interactions energy: -120.694
where: short stacking energy: -52.269
Base-Backbone interact. energy: 0.130
local terms energy: -63.015352
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -182.783084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.783084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.783084 (E_RNA)
where:
Base-Base interactions energy: -120.484
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.026
local terms energy: -62.272439
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -102.403516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.403516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.403516 (E_RNA)
where:
Base-Base interactions energy: -48.516
where: short stacking energy: -38.149
Base-Backbone interact. energy: -0.819
local terms energy: -53.068408
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -9.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -117.928954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.928954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.928954 (E_RNA)
where:
Base-Base interactions energy: -63.452
where: short stacking energy: -36.861
Base-Backbone interact. energy: -0.001
local terms energy: -54.475236
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -89.539182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.539182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.539182 (E_RNA)
where:
Base-Base interactions energy: -26.185
where: short stacking energy: -23.672
Base-Backbone interact. energy: -0.394
local terms energy: -62.959963
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -4.345
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: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -79.083641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.083641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.083641 (E_RNA)
where:
Base-Base interactions energy: -36.852
where: short stacking energy: -36.852
Base-Backbone interact. energy: -0.194
local terms energy: -42.038164
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -5.689
flat angles P-C4'-P energy: -11.039
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: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -226.777344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.777344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.777344 (E_RNA)
where:
Base-Base interactions energy: -148.629
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.155
local terms energy: -77.992563
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -194.153031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.153031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.153031 (E_RNA)
where:
Base-Base interactions energy: -121.629
where: short stacking energy: -58.666
Base-Backbone interact. energy: -0.004
local terms energy: -72.519872
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -219.629763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.629763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.629763 (E_RNA)
where:
Base-Base interactions energy: -142.090
where: short stacking energy: -65.740
Base-Backbone interact. energy: -0.067
local terms energy: -77.472287
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -21.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -196.935064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.935064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.935064 (E_RNA)
where:
Base-Base interactions energy: -127.224
where: short stacking energy: -52.979
Base-Backbone interact. energy: -0.013
local terms energy: -69.698605
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -193.324001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.324001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.324001 (E_RNA)
where:
Base-Base interactions energy: -122.830
where: short stacking energy: -56.496
Base-Backbone interact. energy: -0.001
local terms energy: -70.492344
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -15.158
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: 451
Temperature: 1.150000
Total energy: -106.315420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.315420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.315420 (E_RNA)
where:
Base-Base interactions energy: -52.358
where: short stacking energy: -40.107
Base-Backbone interact. energy: 0.212
local terms energy: -54.169520
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -162.023934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.023934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.023934 (E_RNA)
where:
Base-Base interactions energy: -95.709
where: short stacking energy: -47.518
Base-Backbone interact. energy: -0.627
local terms energy: -65.688359
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -87.372228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.372228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.372228 (E_RNA)
where:
Base-Base interactions energy: -35.661
where: short stacking energy: -20.658
Base-Backbone interact. energy: -0.141
local terms energy: -51.570123
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -75.217866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.217866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.217866 (E_RNA)
where:
Base-Base interactions energy: -32.333
where: short stacking energy: -15.682
Base-Backbone interact. energy: -0.014
local terms energy: -42.871099
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: 2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -87.971988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.971988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.971988 (E_RNA)
where:
Base-Base interactions energy: -36.862
where: short stacking energy: -30.004
Base-Backbone interact. energy: -0.642
local terms energy: -50.468599
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -222.095071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.095071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.095071 (E_RNA)
where:
Base-Base interactions energy: -143.070
where: short stacking energy: -63.703
Base-Backbone interact. energy: -0.098
local terms energy: -78.927542
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -18.115
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: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -198.806247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.806247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.806247 (E_RNA)
where:
Base-Base interactions energy: -124.169
where: short stacking energy: -71.105
Base-Backbone interact. energy: -0.007
local terms energy: -74.629920
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -17.021
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: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -193.012806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.012806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.012806 (E_RNA)
where:
Base-Base interactions energy: -118.498
where: short stacking energy: -52.035
Base-Backbone interact. energy: 0.060
local terms energy: -74.574136
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -209.058892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.058892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.058892 (E_RNA)
where:
Base-Base interactions energy: -136.498
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.006
local terms energy: -72.554127
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -13.038
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: 5, replica: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -186.191777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.191777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.191777 (E_RNA)
where:
Base-Base interactions energy: -124.555
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.037
local terms energy: -61.599258
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -99.605413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.605413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.605413 (E_RNA)
where:
Base-Base interactions energy: -50.894
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.526
local terms energy: -48.185115
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -5.408
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: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -91.431901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.431901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.431901 (E_RNA)
where:
Base-Base interactions energy: -34.925
where: short stacking energy: -33.245
Base-Backbone interact. energy: -0.119
local terms energy: -56.388400
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -7.390
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: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -95.032617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.032617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.032617 (E_RNA)
where:
Base-Base interactions energy: -50.140
where: short stacking energy: -36.162
Base-Backbone interact. energy: 1.449
local terms energy: -46.341877
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -3.708
tors. eta vs tors. theta energy: -5.615
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: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -93.667302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.667302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.667302 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -23.614
Base-Backbone interact. energy: -0.198
local terms energy: -53.573382
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -2.436
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: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -77.263613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.263613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.263613 (E_RNA)
where:
Base-Base interactions energy: -27.906
where: short stacking energy: -27.906
Base-Backbone interact. energy: -0.186
local terms energy: -49.171991
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -228.531191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.531191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.531191 (E_RNA)
where:
Base-Base interactions energy: -154.502
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.123
local terms energy: -73.906527
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -202.335240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.335240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.335240 (E_RNA)
where:
Base-Base interactions energy: -137.064
where: short stacking energy: -63.455
Base-Backbone interact. energy: -0.168
local terms energy: -65.103433
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -194.051777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.051777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.051777 (E_RNA)
where:
Base-Base interactions energy: -120.873
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.035
local terms energy: -73.143647
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -216.930448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.930448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.930448 (E_RNA)
where:
Base-Base interactions energy: -144.727
where: short stacking energy: -62.969
Base-Backbone interact. energy: -0.666
local terms energy: -71.537199
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -178.920079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.920079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.920079 (E_RNA)
where:
Base-Base interactions energy: -121.238
where: short stacking energy: -56.964
Base-Backbone interact. energy: -0.003
local terms energy: -57.678542
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -9.209
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: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -100.860799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.860799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.860799 (E_RNA)
where:
Base-Base interactions energy: -38.429
where: short stacking energy: -35.875
Base-Backbone interact. energy: -0.033
local terms energy: -62.398578
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -105.873224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.873224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.873224 (E_RNA)
where:
Base-Base interactions energy: -47.020
where: short stacking energy: -44.425
Base-Backbone interact. energy: -0.504
local terms energy: -58.349170
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -92.899220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.899220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.899220 (E_RNA)
where:
Base-Base interactions energy: -41.157
where: short stacking energy: -38.066
Base-Backbone interact. energy: -0.231
local terms energy: -51.512050
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -80.513114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.513114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.513114 (E_RNA)
where:
Base-Base interactions energy: -28.804
where: short stacking energy: -24.398
Base-Backbone interact. energy: -0.033
local terms energy: -51.676534
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -87.597347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.597347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.597347 (E_RNA)
where:
Base-Base interactions energy: -35.685
where: short stacking energy: -35.685
Base-Backbone interact. energy: -0.004
local terms energy: -51.909082
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -231.066760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.066760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.066760 (E_RNA)
where:
Base-Base interactions energy: -152.064
where: short stacking energy: -73.080
Base-Backbone interact. energy: -0.000
local terms energy: -79.002129
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -204.641976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.641976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.641976 (E_RNA)
where:
Base-Base interactions energy: -138.278
where: short stacking energy: -63.471
Base-Backbone interact. energy: -0.166
local terms energy: -66.198148
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -218.169670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.169670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.169670 (E_RNA)
where:
Base-Base interactions energy: -140.156
where: short stacking energy: -67.113
Base-Backbone interact. energy: -0.508
local terms energy: -77.505654
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -11.614
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: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -179.063887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.063887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.063887 (E_RNA)
where:
Base-Base interactions energy: -112.612
where: short stacking energy: -45.257
Base-Backbone interact. energy: 0.156
local terms energy: -66.607114
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -195.491784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.491784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.491784 (E_RNA)
where:
Base-Base interactions energy: -125.464
where: short stacking energy: -58.737
Base-Backbone interact. energy: -0.143
local terms energy: -69.885627
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -116.228329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.228329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.228329 (E_RNA)
where:
Base-Base interactions energy: -57.933
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.099
local terms energy: -58.197207
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -174.140660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.140660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.140660 (E_RNA)
where:
Base-Base interactions energy: -115.640
where: short stacking energy: -50.004
Base-Backbone interact. energy: 0.822
local terms energy: -59.323386
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -12.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -87.631563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.631563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.631563 (E_RNA)
where:
Base-Base interactions energy: -33.201
where: short stacking energy: -31.767
Base-Backbone interact. energy: -0.263
local terms energy: -54.167716
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -75.517724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.517724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.517724 (E_RNA)
where:
Base-Base interactions energy: -27.170
where: short stacking energy: -17.100
Base-Backbone interact. energy: -0.201
local terms energy: -48.146873
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: 2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -83.013955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.013955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.013955 (E_RNA)
where:
Base-Base interactions energy: -31.818
where: short stacking energy: -23.703
Base-Backbone interact. energy: -0.026
local terms energy: -51.170161
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -225.207211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.207211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.207211 (E_RNA)
where:
Base-Base interactions energy: -150.908
where: short stacking energy: -66.661
Base-Backbone interact. energy: -0.061
local terms energy: -74.238208
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -10.341
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: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -197.322467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.322467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.322467 (E_RNA)
where:
Base-Base interactions energy: -126.732
where: short stacking energy: -57.436
Base-Backbone interact. energy: -0.238
local terms energy: -70.352280
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -220.012231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.012231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.012231 (E_RNA)
where:
Base-Base interactions energy: -141.410
where: short stacking energy: -67.467
Base-Backbone interact. energy: -0.006
local terms energy: -78.596333
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -193.496212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.496212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.496212 (E_RNA)
where:
Base-Base interactions energy: -127.364
where: short stacking energy: -67.710
Base-Backbone interact. energy: -0.010
local terms energy: -66.121524
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -179.062432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.062432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.062432 (E_RNA)
where:
Base-Base interactions energy: -110.963
where: short stacking energy: -51.008
Base-Backbone interact. energy: -0.099
local terms energy: -68.000121
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -13.226
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: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -171.986622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.986622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.986622 (E_RNA)
where:
Base-Base interactions energy: -110.853
where: short stacking energy: -45.941
Base-Backbone interact. energy: -0.140
local terms energy: -60.993680
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -96.355958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.355958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.355958 (E_RNA)
where:
Base-Base interactions energy: -53.010
where: short stacking energy: -29.473
Base-Backbone interact. energy: -0.243
local terms energy: -43.102667
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -0.136
tors. eta vs tors. theta energy: -8.101
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: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -81.138614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.138614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.138614 (E_RNA)
where:
Base-Base interactions energy: -29.257
where: short stacking energy: -29.257
Base-Backbone interact. energy: -0.048
local terms energy: -51.833617
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -10.757
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: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -83.002935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.002935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.002935 (E_RNA)
where:
Base-Base interactions energy: -41.388
where: short stacking energy: -24.157
Base-Backbone interact. energy: -0.209
local terms energy: -41.405832
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -7.384
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: 0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -82.515093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.515093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.515093 (E_RNA)
where:
Base-Base interactions energy: -49.440
where: short stacking energy: -22.250
Base-Backbone interact. energy: -0.224
local terms energy: -32.850578
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -234.632200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.632200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.632200 (E_RNA)
where:
Base-Base interactions energy: -154.925
where: short stacking energy: -73.541
Base-Backbone interact. energy: -0.011
local terms energy: -79.696579
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -14.569
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: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -193.279720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.279720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.279720 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -61.430
Base-Backbone interact. energy: -0.032
local terms energy: -64.766042
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -16.048
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: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -223.732026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.732026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.732026 (E_RNA)
where:
Base-Base interactions energy: -152.657
where: short stacking energy: -74.819
Base-Backbone interact. energy: -0.045
local terms energy: -71.030293
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -20.247
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: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -188.868792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.868792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.868792 (E_RNA)
where:
Base-Base interactions energy: -121.968
where: short stacking energy: -50.356
Base-Backbone interact. energy: -0.795
local terms energy: -66.105071
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -179.717426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.717426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.717426 (E_RNA)
where:
Base-Base interactions energy: -113.962
where: short stacking energy: -53.391
Base-Backbone interact. energy: 0.054
local terms energy: -65.809489
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -7.783
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: 6, replica: 4
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -185.215185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.215185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.215185 (E_RNA)
where:
Base-Base interactions energy: -123.386
where: short stacking energy: -63.912
Base-Backbone interact. energy: -0.045
local terms energy: -61.783982
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -86.479132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.479132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.479132 (E_RNA)
where:
Base-Base interactions energy: -40.199
where: short stacking energy: -30.606
Base-Backbone interact. energy: -0.189
local terms energy: -46.091336
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -0.073
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: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -83.752542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.752542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.752542 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.059
local terms energy: -46.618867
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -6.794
flat angles P-C4'-P energy: -8.180
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: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -84.059873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.059873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.059873 (E_RNA)
where:
Base-Base interactions energy: -30.799
where: short stacking energy: -22.756
Base-Backbone interact. energy: -0.036
local terms energy: -53.225322
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -77.269037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.269037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.269037 (E_RNA)
where:
Base-Base interactions energy: -30.545
where: short stacking energy: -30.745
Base-Backbone interact. energy: -0.922
local terms energy: -45.802372
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -7.390
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: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -231.468494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.468494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.468494 (E_RNA)
where:
Base-Base interactions energy: -147.643
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.326
local terms energy: -83.499230
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -22.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -222.437918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.437918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.437918 (E_RNA)
where:
Base-Base interactions energy: -148.381
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.003
local terms energy: -74.053681
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -18.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -190.060195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.060195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.060195 (E_RNA)
where:
Base-Base interactions energy: -132.432
where: short stacking energy: -53.386
Base-Backbone interact. energy: -0.162
local terms energy: -57.465931
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -194.176055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.176055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.176055 (E_RNA)
where:
Base-Base interactions energy: -129.917
where: short stacking energy: -64.752
Base-Backbone interact. energy: -0.005
local terms energy: -64.254049
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -184.614407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.614407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.614407 (E_RNA)
where:
Base-Base interactions energy: -124.556
where: short stacking energy: -47.924
Base-Backbone interact. energy: -0.366
local terms energy: -59.691884
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -9.976
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: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -178.446033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.446033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.446033 (E_RNA)
where:
Base-Base interactions energy: -113.807
where: short stacking energy: -54.667
Base-Backbone interact. energy: -0.019
local terms energy: -64.620155
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -104.011704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.011704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.011704 (E_RNA)
where:
Base-Base interactions energy: -37.807
where: short stacking energy: -37.807
Base-Backbone interact. energy: -0.476
local terms energy: -65.728931
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -92.422279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.422279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.422279 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.107
local terms energy: -58.781374
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -78.206753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.206753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.206753 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -23.728
Base-Backbone interact. energy: -0.109
local terms energy: -42.010675
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: 0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -83.830340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.830340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.830340 (E_RNA)
where:
Base-Base interactions energy: -37.214
where: short stacking energy: -28.556
Base-Backbone interact. energy: -0.088
local terms energy: -46.528494
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -230.319771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.319771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.319771 (E_RNA)
where:
Base-Base interactions energy: -153.344
where: short stacking energy: -78.568
Base-Backbone interact. energy: -0.165
local terms energy: -76.810008
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -8.484
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: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -220.209900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.209900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.209900 (E_RNA)
where:
Base-Base interactions energy: -141.431
where: short stacking energy: -73.591
Base-Backbone interact. energy: 0.250
local terms energy: -79.028675
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -194.143373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.143373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.143373 (E_RNA)
where:
Base-Base interactions energy: -136.627
where: short stacking energy: -53.513
Base-Backbone interact. energy: -0.422
local terms energy: -57.094327
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -3.455
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: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -198.177003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.177003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.177003 (E_RNA)
where:
Base-Base interactions energy: -135.155
where: short stacking energy: -60.404
Base-Backbone interact. energy: -0.785
local terms energy: -62.237587
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -188.874905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.874905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.874905 (E_RNA)
where:
Base-Base interactions energy: -133.498
where: short stacking energy: -60.061
Base-Backbone interact. energy: -0.219
local terms energy: -55.158055
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -182.309498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.309498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.309498 (E_RNA)
where:
Base-Base interactions energy: -118.524
where: short stacking energy: -58.244
Base-Backbone interact. energy: -0.013
local terms energy: -63.772353
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -85.133499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.133499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.133499 (E_RNA)
where:
Base-Base interactions energy: -28.303
where: short stacking energy: -28.303
Base-Backbone interact. energy: 0.535
local terms energy: -57.365465
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -87.109905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.109905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.109905 (E_RNA)
where:
Base-Base interactions energy: -34.374
where: short stacking energy: -34.374
Base-Backbone interact. energy: -0.050
local terms energy: -52.686291
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -81.260957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.260957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.260957 (E_RNA)
where:
Base-Base interactions energy: -27.170
where: short stacking energy: -25.151
Base-Backbone interact. energy: -0.020
local terms energy: -54.071269
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -87.994767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.994767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.994767 (E_RNA)
where:
Base-Base interactions energy: -37.366
where: short stacking energy: -33.288
Base-Backbone interact. energy: -0.109
local terms energy: -50.519636
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -8.305
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -4.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -237.311749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.311749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.311749 (E_RNA)
where:
Base-Base interactions energy: -155.847
where: short stacking energy: -69.510
Base-Backbone interact. energy: -0.461
local terms energy: -81.003502
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -12.092
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: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -221.525894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.525894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.525894 (E_RNA)
where:
Base-Base interactions energy: -149.840
where: short stacking energy: -69.805
Base-Backbone interact. energy: -0.094
local terms energy: -71.591276
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -201.069936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.069936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.069936 (E_RNA)
where:
Base-Base interactions energy: -143.519
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.174
local terms energy: -57.377513
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -11.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -190.048882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.048882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.048882 (E_RNA)
where:
Base-Base interactions energy: -122.160
where: short stacking energy: -62.264
Base-Backbone interact. energy: -0.002
local terms energy: -67.887022
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -198.024318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.024318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.024318 (E_RNA)
where:
Base-Base interactions energy: -131.805
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.119
local terms energy: -66.099933
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -177.698719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.698719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.698719 (E_RNA)
where:
Base-Base interactions energy: -108.859
where: short stacking energy: -53.998
Base-Backbone interact. energy: -0.003
local terms energy: -68.836731
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -89.813535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.813535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.813535 (E_RNA)
where:
Base-Base interactions energy: -45.028
where: short stacking energy: -21.038
Base-Backbone interact. energy: -0.219
local terms energy: -44.566890
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: 2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -92.331607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.331607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.331607 (E_RNA)
where:
Base-Base interactions energy: -42.266
where: short stacking energy: -42.266
Base-Backbone interact. energy: -0.049
local terms energy: -50.016556
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -5.799
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: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -84.592586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.592586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.592586 (E_RNA)
where:
Base-Base interactions energy: -37.266
where: short stacking energy: -20.002
Base-Backbone interact. energy: -1.666
local terms energy: -45.661281
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: 4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -70.444205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.444205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.444205 (E_RNA)
where:
Base-Base interactions energy: -18.083
where: short stacking energy: -15.594
Base-Backbone interact. energy: -0.105
local terms energy: -52.256369
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -227.844875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.844875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.844875 (E_RNA)
where:
Base-Base interactions energy: -149.051
where: short stacking energy: -62.819
Base-Backbone interact. energy: -0.146
local terms energy: -78.647340
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -227.727794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.727794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.727794 (E_RNA)
where:
Base-Base interactions energy: -154.619
where: short stacking energy: -73.981
Base-Backbone interact. energy: -0.001
local terms energy: -73.107814
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -22.241
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: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -198.720398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.720398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.720398 (E_RNA)
where:
Base-Base interactions energy: -130.162
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.010
local terms energy: -68.547819
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -186.980946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.980946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.980946 (E_RNA)
where:
Base-Base interactions energy: -129.430
where: short stacking energy: -62.092
Base-Backbone interact. energy: 0.085
local terms energy: -57.636582
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -7.739
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -202.746682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.746682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.746682 (E_RNA)
where:
Base-Base interactions energy: -138.424
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.126
local terms energy: -64.197219
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -7.903
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -176.529457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.529457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.529457 (E_RNA)
where:
Base-Base interactions energy: -117.994
where: short stacking energy: -48.145
Base-Backbone interact. energy: -0.308
local terms energy: -58.227509
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -12.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -101.847703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.847703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.847703 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -31.357
Base-Backbone interact. energy: 0.247
local terms energy: -55.334096
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -5.447
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: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -93.288224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.288224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.288224 (E_RNA)
where:
Base-Base interactions energy: -43.667
where: short stacking energy: -26.039
Base-Backbone interact. energy: -1.818
local terms energy: -47.803221
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -5.313
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -76.572830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.572830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.572830 (E_RNA)
where:
Base-Base interactions energy: -33.774
where: short stacking energy: -33.774
Base-Backbone interact. energy: -0.155
local terms energy: -42.643851
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -6.439
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -81.832980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.832980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.832980 (E_RNA)
where:
Base-Base interactions energy: -32.298
where: short stacking energy: -25.958
Base-Backbone interact. energy: 0.912
local terms energy: -50.447063
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -2.384
tors. eta vs tors. theta energy: -6.316
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: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -228.108456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.108456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.108456 (E_RNA)
where:
Base-Base interactions energy: -147.914
where: short stacking energy: -74.415
Base-Backbone interact. energy: -0.694
local terms energy: -79.499850
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -190.587267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.587267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.587267 (E_RNA)
where:
Base-Base interactions energy: -123.920
where: short stacking energy: -52.472
Base-Backbone interact. energy: 0.152
local terms energy: -66.818677
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -226.165451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.165451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.165451 (E_RNA)
where:
Base-Base interactions energy: -152.098
where: short stacking energy: -74.873
Base-Backbone interact. energy: -0.115
local terms energy: -73.952740
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -21.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -184.842373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.842373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.842373 (E_RNA)
where:
Base-Base interactions energy: -115.361
where: short stacking energy: -51.064
Base-Backbone interact. energy: -0.015
local terms energy: -69.466243
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -191.475064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.475064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.475064 (E_RNA)
where:
Base-Base interactions energy: -116.719
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.060
local terms energy: -74.696829
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -184.265732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.265732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.265732 (E_RNA)
where:
Base-Base interactions energy: -117.416
where: short stacking energy: -57.483
Base-Backbone interact. energy: -0.014
local terms energy: -66.835559
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -15.442
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: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -96.932777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.932777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.932777 (E_RNA)
where:
Base-Base interactions energy: -39.123
where: short stacking energy: -39.123
Base-Backbone interact. energy: -0.133
local terms energy: -57.676709
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -8.385
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -82.963666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.963666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.963666 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -22.142
Base-Backbone interact. energy: -0.413
local terms energy: -46.099280
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -9.233
flat angles C4'-P-C4' energy: -8.414
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -116.405107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.405107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.405107 (E_RNA)
where:
Base-Base interactions energy: -60.843
where: short stacking energy: -28.388
Base-Backbone interact. energy: -0.048
local terms energy: -55.513898
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -10.839
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: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -75.391025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.391025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.391025 (E_RNA)
where:
Base-Base interactions energy: -34.494
where: short stacking energy: -27.567
Base-Backbone interact. energy: 0.927
local terms energy: -41.824545
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -1.629
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: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -232.698075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.698075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.698075 (E_RNA)
where:
Base-Base interactions energy: -149.178
where: short stacking energy: -73.365
Base-Backbone interact. energy: -0.001
local terms energy: -83.519317
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -197.893842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.893842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.893842 (E_RNA)
where:
Base-Base interactions energy: -127.633
where: short stacking energy: -57.003
Base-Backbone interact. energy: -0.006
local terms energy: -70.255488
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -15.361
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: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -201.921471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.921471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.921471 (E_RNA)
where:
Base-Base interactions energy: -136.474
where: short stacking energy: -60.254
Base-Backbone interact. energy: -0.267
local terms energy: -65.180034
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -14.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -194.564083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.564083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.564083 (E_RNA)
where:
Base-Base interactions energy: -125.978
where: short stacking energy: -64.657
Base-Backbone interact. energy: 0.099
local terms energy: -68.685283
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -18.475
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: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -194.750021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.750021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.750021 (E_RNA)
where:
Base-Base interactions energy: -126.561
where: short stacking energy: -55.478
Base-Backbone interact. energy: -0.037
local terms energy: -68.152038
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.801
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: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -186.534796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.534796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.534796 (E_RNA)
where:
Base-Base interactions energy: -116.622
where: short stacking energy: -61.131
Base-Backbone interact. energy: -0.006
local terms energy: -69.906835
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -96.942937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.942937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.942937 (E_RNA)
where:
Base-Base interactions energy: -45.269
where: short stacking energy: -27.589
Base-Backbone interact. energy: -0.041
local terms energy: -51.633533
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -8.170
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -5.038
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: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -91.899475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.899475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.899475 (E_RNA)
where:
Base-Base interactions energy: -42.397
where: short stacking energy: -42.397
Base-Backbone interact. energy: -0.105
local terms energy: -49.396863
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -3.792
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -77.501986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.501986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.501986 (E_RNA)
where:
Base-Base interactions energy: -35.568
where: short stacking energy: -19.816
Base-Backbone interact. energy: 0.907
local terms energy: -42.840659
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: 1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -83.890707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.890707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.890707 (E_RNA)
where:
Base-Base interactions energy: -42.003
where: short stacking energy: -33.342
Base-Backbone interact. energy: 0.186
local terms energy: -42.073971
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -7.465
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -234.985440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.985440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.985440 (E_RNA)
where:
Base-Base interactions energy: -153.788
where: short stacking energy: -77.735
Base-Backbone interact. energy: -0.001
local terms energy: -81.196693
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -216.896489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.896489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.896489 (E_RNA)
where:
Base-Base interactions energy: -149.510
where: short stacking energy: -71.772
Base-Backbone interact. energy: -0.430
local terms energy: -66.955873
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -203.047199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.047199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.047199 (E_RNA)
where:
Base-Base interactions energy: -133.052
where: short stacking energy: -65.823
Base-Backbone interact. energy: -0.343
local terms energy: -69.652182
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -9.444
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: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -182.949738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.949738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.949738 (E_RNA)
where:
Base-Base interactions energy: -120.437
where: short stacking energy: -50.110
Base-Backbone interact. energy: -0.234
local terms energy: -62.278608
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -185.848788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.848788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.848788 (E_RNA)
where:
Base-Base interactions energy: -126.322
where: short stacking energy: -53.527
Base-Backbone interact. energy: -0.090
local terms energy: -59.436598
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -178.202593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.202593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.202593 (E_RNA)
where:
Base-Base interactions energy: -111.391
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.001
local terms energy: -66.810875
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -89.362934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.362934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.362934 (E_RNA)
where:
Base-Base interactions energy: -38.114
where: short stacking energy: -35.615
Base-Backbone interact. energy: -0.439
local terms energy: -50.810683
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -105.642791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.642791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.642791 (E_RNA)
where:
Base-Base interactions energy: -47.997
where: short stacking energy: -41.404
Base-Backbone interact. energy: -0.021
local terms energy: -57.624566
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -84.861707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.861707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.861707 (E_RNA)
where:
Base-Base interactions energy: -32.824
where: short stacking energy: -30.093
Base-Backbone interact. energy: -0.970
local terms energy: -51.068212
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -96.294925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.294925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.294925 (E_RNA)
where:
Base-Base interactions energy: -54.729
where: short stacking energy: -40.407
Base-Backbone interact. energy: -0.142
local terms energy: -41.424266
where:
bonds (distance) C4'-P energy: -8.456
bonds (distance) P-C4' energy: -8.241
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -224.135836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.135836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.135836 (E_RNA)
where:
Base-Base interactions energy: -151.710
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.003
local terms energy: -72.422315
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -19.541
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: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -223.701193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.701193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.701193 (E_RNA)
where:
Base-Base interactions energy: -145.151
where: short stacking energy: -70.288
Base-Backbone interact. energy: -0.478
local terms energy: -78.072410
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -191.466869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.466869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.466869 (E_RNA)
where:
Base-Base interactions energy: -123.597
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.081
local terms energy: -67.788568
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -16.955
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: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -187.021883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.021883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.021883 (E_RNA)
where:
Base-Base interactions energy: -122.169
where: short stacking energy: -53.502
Base-Backbone interact. energy: -0.695
local terms energy: -64.157819
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -185.060283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.060283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.060283 (E_RNA)
where:
Base-Base interactions energy: -121.031
where: short stacking energy: -58.915
Base-Backbone interact. energy: -0.009
local terms energy: -64.019748
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -170.779156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.779156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.779156 (E_RNA)
where:
Base-Base interactions energy: -117.119
where: short stacking energy: -60.695
Base-Backbone interact. energy: 1.192
local terms energy: -54.852331
where:
bonds (distance) C4'-P energy: -7.240
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -13.486
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: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -93.496943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.496943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.496943 (E_RNA)
where:
Base-Base interactions energy: -31.297
where: short stacking energy: -30.359
Base-Backbone interact. energy: 0.115
local terms energy: -62.314895
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -7.608
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: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -85.769244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.769244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.769244 (E_RNA)
where:
Base-Base interactions energy: -33.457
where: short stacking energy: -25.872
Base-Backbone interact. energy: -0.386
local terms energy: -51.926292
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -87.296321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.296321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.296321 (E_RNA)
where:
Base-Base interactions energy: -41.693
where: short stacking energy: -27.957
Base-Backbone interact. energy: -0.329
local terms energy: -45.274528
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -3.397
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: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -82.981602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.981602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.981602 (E_RNA)
where:
Base-Base interactions energy: -48.766
where: short stacking energy: -28.620
Base-Backbone interact. energy: 2.275
local terms energy: -36.490193
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -9.412
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -3.289
tors. eta vs tors. theta energy: 2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -228.954229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.954229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.954229 (E_RNA)
where:
Base-Base interactions energy: -154.104
where: short stacking energy: -72.911
Base-Backbone interact. energy: -0.392
local terms energy: -74.457951
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -21.819
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: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -197.211318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.211318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.211318 (E_RNA)
where:
Base-Base interactions energy: -123.331
where: short stacking energy: -64.198
Base-Backbone interact. energy: -0.024
local terms energy: -73.856049
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -213.497035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.497035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.497035 (E_RNA)
where:
Base-Base interactions energy: -139.962
where: short stacking energy: -61.430
Base-Backbone interact. energy: 0.491
local terms energy: -74.025636
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -180.373877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.373877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.373877 (E_RNA)
where:
Base-Base interactions energy: -112.072
where: short stacking energy: -53.755
Base-Backbone interact. energy: -0.028
local terms energy: -68.274172
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -13.059
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: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -197.663950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.663950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.663950 (E_RNA)
where:
Base-Base interactions energy: -132.796
where: short stacking energy: -65.105
Base-Backbone interact. energy: -0.036
local terms energy: -64.832720
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -174.123185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.123185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.123185 (E_RNA)
where:
Base-Base interactions energy: -115.737
where: short stacking energy: -58.025
Base-Backbone interact. energy: 0.230
local terms energy: -58.616084
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -101.343560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.343560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.343560 (E_RNA)
where:
Base-Base interactions energy: -49.269
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.398
local terms energy: -51.677145
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -7.693
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: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -96.699466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.699466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.699466 (E_RNA)
where:
Base-Base interactions energy: -48.361
where: short stacking energy: -25.572
Base-Backbone interact. energy: -0.755
local terms energy: -47.582746
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: 1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -87.346632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.346632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.346632 (E_RNA)
where:
Base-Base interactions energy: -34.025
where: short stacking energy: -34.025
Base-Backbone interact. energy: -0.144
local terms energy: -53.177403
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -82.865295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.865295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.865295 (E_RNA)
where:
Base-Base interactions energy: -38.808
where: short stacking energy: -38.808
Base-Backbone interact. energy: -0.175
local terms energy: -43.882454
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -6.814
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: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -233.865239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.865239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.865239 (E_RNA)
where:
Base-Base interactions energy: -150.784
where: short stacking energy: -72.704
Base-Backbone interact. energy: -0.040
local terms energy: -83.041912
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -204.107946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.107946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.107946 (E_RNA)
where:
Base-Base interactions energy: -129.135
where: short stacking energy: -61.982
Base-Backbone interact. energy: -0.070
local terms energy: -74.903369
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -220.019371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.019371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.019371 (E_RNA)
where:
Base-Base interactions energy: -147.957
where: short stacking energy: -72.548
Base-Backbone interact. energy: -0.094
local terms energy: -71.968610
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -8.652
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -21.830
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: 466
Temperature: 1.050000
Total energy: -194.234614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.234614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.234614 (E_RNA)
where:
Base-Base interactions energy: -126.817
where: short stacking energy: -64.414
Base-Backbone interact. energy: 1.244
local terms energy: -68.661607
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -196.549604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.549604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.549604 (E_RNA)
where:
Base-Base interactions energy: -121.558
where: short stacking energy: -59.540
Base-Backbone interact. energy: -0.245
local terms energy: -74.746353
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -173.709896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.709896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.709896 (E_RNA)
where:
Base-Base interactions energy: -124.183
where: short stacking energy: -52.549
Base-Backbone interact. energy: -1.443
local terms energy: -48.084050
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -102.885058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.885058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.885058 (E_RNA)
where:
Base-Base interactions energy: -52.670
where: short stacking energy: -27.962
Base-Backbone interact. energy: -0.231
local terms energy: -49.983430
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -3.806
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: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -119.131377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.131377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.131377 (E_RNA)
where:
Base-Base interactions energy: -63.215
where: short stacking energy: -32.806
Base-Backbone interact. energy: -0.175
local terms energy: -55.742131
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -92.217798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.217798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.217798 (E_RNA)
where:
Base-Base interactions energy: -46.281
where: short stacking energy: -26.458
Base-Backbone interact. energy: 2.045
local terms energy: -47.982016
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -89.171601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.171601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.171601 (E_RNA)
where:
Base-Base interactions energy: -36.149
where: short stacking energy: -22.399
Base-Backbone interact. energy: -0.064
local terms energy: -52.958466
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -227.207841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.207841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.207841 (E_RNA)
where:
Base-Base interactions energy: -153.458
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.061
local terms energy: -73.689373
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -220.654392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.654392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.654392 (E_RNA)
where:
Base-Base interactions energy: -142.676
where: short stacking energy: -66.815
Base-Backbone interact. energy: -0.002
local terms energy: -77.975874
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -21.614
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: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -196.007218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.007218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.007218 (E_RNA)
where:
Base-Base interactions energy: -125.671
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.001
local terms energy: -70.335133
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -196.228117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.228117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.228117 (E_RNA)
where:
Base-Base interactions energy: -131.100
where: short stacking energy: -57.743
Base-Backbone interact. energy: -0.046
local terms energy: -65.082289
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -180.708739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.708739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.708739 (E_RNA)
where:
Base-Base interactions energy: -108.077
where: short stacking energy: -52.782
Base-Backbone interact. energy: 0.026
local terms energy: -72.657928
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -179.192717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.192717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.192717 (E_RNA)
where:
Base-Base interactions energy: -120.059
where: short stacking energy: -50.982
Base-Backbone interact. energy: -0.016
local terms energy: -59.117217
where:
bonds (distance) C4'-P energy: -8.817
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -10.979
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: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -102.034000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.034000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.034000 (E_RNA)
where:
Base-Base interactions energy: -48.220
where: short stacking energy: -27.437
Base-Backbone interact. energy: -0.498
local terms energy: -53.316802
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -127.791930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.791930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.791930 (E_RNA)
where:
Base-Base interactions energy: -71.444
where: short stacking energy: -34.896
Base-Backbone interact. energy: -0.146
local terms energy: -56.201546
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -8.304
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: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -85.859097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.859097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.859097 (E_RNA)
where:
Base-Base interactions energy: -37.223
where: short stacking energy: -35.830
Base-Backbone interact. energy: -0.049
local terms energy: -48.587466
where:
bonds (distance) C4'-P energy: -5.313
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -8.083
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: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -115.131013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.131013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.131013 (E_RNA)
where:
Base-Base interactions energy: -62.950
where: short stacking energy: -34.208
Base-Backbone interact. energy: -0.122
local terms energy: -52.059838
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -6.021
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -221.662056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.662056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.662056 (E_RNA)
where:
Base-Base interactions energy: -146.585
where: short stacking energy: -65.124
Base-Backbone interact. energy: -0.003
local terms energy: -75.073323
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -216.079711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.079711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.079711 (E_RNA)
where:
Base-Base interactions energy: -143.418
where: short stacking energy: -64.807
Base-Backbone interact. energy: -0.098
local terms energy: -72.563880
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -17.053
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: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -190.971811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.971811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.971811 (E_RNA)
where:
Base-Base interactions energy: -122.034
where: short stacking energy: -60.575
Base-Backbone interact. energy: -0.070
local terms energy: -68.867670
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -4.725
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: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -192.816629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.816629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.816629 (E_RNA)
where:
Base-Base interactions energy: -125.835
where: short stacking energy: -54.277
Base-Backbone interact. energy: -0.065
local terms energy: -66.917261
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -181.064364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.064364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.064364 (E_RNA)
where:
Base-Base interactions energy: -116.064
where: short stacking energy: -53.801
Base-Backbone interact. energy: -0.091
local terms energy: -64.909437
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -184.864329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.864329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.864329 (E_RNA)
where:
Base-Base interactions energy: -115.120
where: short stacking energy: -52.267
Base-Backbone interact. energy: -0.192
local terms energy: -69.551996
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -6.160
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: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -120.681712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.681712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.681712 (E_RNA)
where:
Base-Base interactions energy: -67.064
where: short stacking energy: -30.375
Base-Backbone interact. energy: -0.049
local terms energy: -53.569478
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -7.967
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: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -87.616409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.616409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.616409 (E_RNA)
where:
Base-Base interactions energy: -46.623
where: short stacking energy: -34.013
Base-Backbone interact. energy: 1.225
local terms energy: -42.218391
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -81.856135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.856135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.856135 (E_RNA)
where:
Base-Base interactions energy: -25.440
where: short stacking energy: -25.349
Base-Backbone interact. energy: -0.172
local terms energy: -56.244022
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -6.662
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: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -75.244936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.244936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.244936 (E_RNA)
where:
Base-Base interactions energy: -31.384
where: short stacking energy: -24.242
Base-Backbone interact. energy: 0.113
local terms energy: -43.974221
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -7.669
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: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -220.506715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.506715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.506715 (E_RNA)
where:
Base-Base interactions energy: -152.323
where: short stacking energy: -67.408
Base-Backbone interact. energy: -0.169
local terms energy: -68.014232
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -12.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -219.655356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.655356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.655356 (E_RNA)
where:
Base-Base interactions energy: -146.664
where: short stacking energy: -70.222
Base-Backbone interact. energy: -0.595
local terms energy: -72.397199
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -196.945592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.945592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.945592 (E_RNA)
where:
Base-Base interactions energy: -119.941
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.060
local terms energy: -76.944730
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -200.645457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.645457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.645457 (E_RNA)
where:
Base-Base interactions energy: -127.039
where: short stacking energy: -66.715
Base-Backbone interact. energy: 0.663
local terms energy: -74.269859
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -16.342
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: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -181.889083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.889083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.889083 (E_RNA)
where:
Base-Base interactions energy: -114.147
where: short stacking energy: -54.180
Base-Backbone interact. energy: -0.010
local terms energy: -67.732370
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -184.508981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.508981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.508981 (E_RNA)
where:
Base-Base interactions energy: -119.206
where: short stacking energy: -52.524
Base-Backbone interact. energy: -0.220
local terms energy: -65.083006
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -11.491
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: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -99.353036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.353036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.353036 (E_RNA)
where:
Base-Base interactions energy: -53.045
where: short stacking energy: -33.699
Base-Backbone interact. energy: -0.388
local terms energy: -45.920149
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -5.252
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: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -85.677349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.677349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.677349 (E_RNA)
where:
Base-Base interactions energy: -29.724
where: short stacking energy: -22.115
Base-Backbone interact. energy: -0.314
local terms energy: -55.639602
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -11.385
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: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -85.554811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.554811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.554811 (E_RNA)
where:
Base-Base interactions energy: -32.355
where: short stacking energy: -31.906
Base-Backbone interact. energy: -0.065
local terms energy: -53.135258
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -93.989473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.989473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.989473 (E_RNA)
where:
Base-Base interactions energy: -51.550
where: short stacking energy: -35.916
Base-Backbone interact. energy: -0.196
local terms energy: -42.243143
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -5.011
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -225.864995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.864995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.864995 (E_RNA)
where:
Base-Base interactions energy: -147.480
where: short stacking energy: -76.175
Base-Backbone interact. energy: -0.016
local terms energy: -78.369671
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -221.278965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.278965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.278965 (E_RNA)
where:
Base-Base interactions energy: -151.307
where: short stacking energy: -71.024
Base-Backbone interact. energy: -0.017
local terms energy: -69.955405
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -215.185189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.185189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.185189 (E_RNA)
where:
Base-Base interactions energy: -146.016
where: short stacking energy: -64.944
Base-Backbone interact. energy: -0.088
local terms energy: -69.081720
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -192.900374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.900374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.900374 (E_RNA)
where:
Base-Base interactions energy: -124.833
where: short stacking energy: -55.894
Base-Backbone interact. energy: -0.012
local terms energy: -68.055305
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -194.260233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.260233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.260233 (E_RNA)
where:
Base-Base interactions energy: -125.682
where: short stacking energy: -58.590
Base-Backbone interact. energy: -0.186
local terms energy: -68.391813
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -11.659
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: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -176.142805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.142805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.142805 (E_RNA)
where:
Base-Base interactions energy: -119.952
where: short stacking energy: -48.569
Base-Backbone interact. energy: -0.078
local terms energy: -56.113143
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -103.264152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.264152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.264152 (E_RNA)
where:
Base-Base interactions energy: -50.787
where: short stacking energy: -35.519
Base-Backbone interact. energy: 0.901
local terms energy: -53.378544
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -5.993
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: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -77.236177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.236177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.236177 (E_RNA)
where:
Base-Base interactions energy: -26.914
where: short stacking energy: -24.102
Base-Backbone interact. energy: -0.682
local terms energy: -49.640131
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -1.507
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: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -103.909454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.909454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.909454 (E_RNA)
where:
Base-Base interactions energy: -52.438
where: short stacking energy: -30.673
Base-Backbone interact. energy: -0.078
local terms energy: -51.393739
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -9.382
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: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -118.153227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.153227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.153227 (E_RNA)
where:
Base-Base interactions energy: -76.952
where: short stacking energy: -40.916
Base-Backbone interact. energy: -0.029
local terms energy: -41.171628
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -229.925942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.925942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.925942 (E_RNA)
where:
Base-Base interactions energy: -150.666
where: short stacking energy: -68.961
Base-Backbone interact. energy: 0.977
local terms energy: -80.237408
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -211.253867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.253867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.253867 (E_RNA)
where:
Base-Base interactions energy: -140.964
where: short stacking energy: -76.856
Base-Backbone interact. energy: -0.029
local terms energy: -70.261191
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -15.379
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: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -221.968104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.968104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.968104 (E_RNA)
where:
Base-Base interactions energy: -147.620
where: short stacking energy: -69.215
Base-Backbone interact. energy: -0.004
local terms energy: -74.344095
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -21.442
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: 471
Temperature: 1.050000
Total energy: -195.686760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.686760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.686760 (E_RNA)
where:
Base-Base interactions energy: -130.022
where: short stacking energy: -55.726
Base-Backbone interact. energy: -0.123
local terms energy: -65.542252
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -197.041970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.041970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.041970 (E_RNA)
where:
Base-Base interactions energy: -124.936
where: short stacking energy: -66.067
Base-Backbone interact. energy: 3.241
local terms energy: -75.347724
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -176.970000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.970000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.970000 (E_RNA)
where:
Base-Base interactions energy: -110.319
where: short stacking energy: -54.625
Base-Backbone interact. energy: -0.005
local terms energy: -66.646222
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -100.200812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.200812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.200812 (E_RNA)
where:
Base-Base interactions energy: -56.356
where: short stacking energy: -31.569
Base-Backbone interact. energy: 0.023
local terms energy: -43.867220
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -7.994
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -115.107540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.107540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.107540 (E_RNA)
where:
Base-Base interactions energy: -63.300
where: short stacking energy: -34.845
Base-Backbone interact. energy: -0.094
local terms energy: -51.713363
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -2.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -83.147861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.147861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.147861 (E_RNA)
where:
Base-Base interactions energy: -35.526
where: short stacking energy: -29.110
Base-Backbone interact. energy: -0.134
local terms energy: -47.488108
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -113.384665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.384665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.384665 (E_RNA)
where:
Base-Base interactions energy: -56.209
where: short stacking energy: -34.019
Base-Backbone interact. energy: -0.027
local terms energy: -57.148708
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -230.744900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.744900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.744900 (E_RNA)
where:
Base-Base interactions energy: -153.906
where: short stacking energy: -75.976
Base-Backbone interact. energy: -0.150
local terms energy: -76.689170
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -203.766278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.766278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.766278 (E_RNA)
where:
Base-Base interactions energy: -134.128
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.626
local terms energy: -69.011716
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -229.534926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.534926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.534926 (E_RNA)
where:
Base-Base interactions energy: -149.524
where: short stacking energy: -72.994
Base-Backbone interact. energy: -0.013
local terms energy: -79.998380
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -191.014904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.014904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.014904 (E_RNA)
where:
Base-Base interactions energy: -119.592
where: short stacking energy: -54.510
Base-Backbone interact. energy: -0.000
local terms energy: -71.422803
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -9.205
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: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -185.124976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.124976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.124976 (E_RNA)
where:
Base-Base interactions energy: -116.744
where: short stacking energy: -56.092
Base-Backbone interact. energy: 0.282
local terms energy: -68.662247
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -189.641485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.641485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.641485 (E_RNA)
where:
Base-Base interactions energy: -125.284
where: short stacking energy: -50.449
Base-Backbone interact. energy: -0.179
local terms energy: -64.178128
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -7.355
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: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -98.450810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.450810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.450810 (E_RNA)
where:
Base-Base interactions energy: -48.555
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.440
local terms energy: -49.455918
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -91.322780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.322780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.322780 (E_RNA)
where:
Base-Base interactions energy: -35.370
where: short stacking energy: -30.390
Base-Backbone interact. energy: -0.088
local terms energy: -55.864861
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -121.498514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.498514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.498514 (E_RNA)
where:
Base-Base interactions energy: -69.792
where: short stacking energy: -28.844
Base-Backbone interact. energy: -0.206
local terms energy: -51.500366
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -7.266
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -85.230017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.230017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.230017 (E_RNA)
where:
Base-Base interactions energy: -34.431
where: short stacking energy: -34.001
Base-Backbone interact. energy: -0.006
local terms energy: -50.793460
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -7.529
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: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -230.342504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.342504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.342504 (E_RNA)
where:
Base-Base interactions energy: -147.287
where: short stacking energy: -71.385
Base-Backbone interact. energy: -0.020
local terms energy: -83.035381
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -19.825
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: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -233.611545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.611545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.611545 (E_RNA)
where:
Base-Base interactions energy: -156.070
where: short stacking energy: -74.861
Base-Backbone interact. energy: -0.022
local terms energy: -77.519690
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -19.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -195.583382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.583382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.583382 (E_RNA)
where:
Base-Base interactions energy: -126.781
where: short stacking energy: -54.103
Base-Backbone interact. energy: -0.104
local terms energy: -68.698588
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -191.636760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.636760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.636760 (E_RNA)
where:
Base-Base interactions energy: -124.265
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.008
local terms energy: -67.364424
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -2.862
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -182.324724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.324724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.324724 (E_RNA)
where:
Base-Base interactions energy: -109.382
where: short stacking energy: -50.598
Base-Backbone interact. energy: -0.104
local terms energy: -72.839258
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -184.490830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.490830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.490830 (E_RNA)
where:
Base-Base interactions energy: -121.467
where: short stacking energy: -49.348
Base-Backbone interact. energy: -1.372
local terms energy: -61.651560
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -11.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -91.040577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.040577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.040577 (E_RNA)
where:
Base-Base interactions energy: -40.732
where: short stacking energy: -35.240
Base-Backbone interact. energy: 1.073
local terms energy: -51.381133
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -88.115388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.115388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.115388 (E_RNA)
where:
Base-Base interactions energy: -30.873
where: short stacking energy: -30.873
Base-Backbone interact. energy: -0.059
local terms energy: -57.184045
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -98.380629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.380629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.380629 (E_RNA)
where:
Base-Base interactions energy: -59.468
where: short stacking energy: -27.031
Base-Backbone interact. energy: 0.214
local terms energy: -39.127258
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -8.496
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -73.673164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.673164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.673164 (E_RNA)
where:
Base-Base interactions energy: -19.067
where: short stacking energy: -18.729
Base-Backbone interact. energy: -0.060
local terms energy: -54.546798
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -228.223587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.223587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.223587 (E_RNA)
where:
Base-Base interactions energy: -152.358
where: short stacking energy: -74.134
Base-Backbone interact. energy: -0.004
local terms energy: -75.861064
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -20.800
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: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -227.392647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.392647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.392647 (E_RNA)
where:
Base-Base interactions energy: -148.770
where: short stacking energy: -74.643
Base-Backbone interact. energy: 1.346
local terms energy: -79.968914
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -203.666956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.666956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.666956 (E_RNA)
where:
Base-Base interactions energy: -131.180
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.065
local terms energy: -72.422564
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -188.608676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.608676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.608676 (E_RNA)
where:
Base-Base interactions energy: -118.096
where: short stacking energy: -65.026
Base-Backbone interact. energy: -0.008
local terms energy: -70.505265
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -192.254997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.254997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.254997 (E_RNA)
where:
Base-Base interactions energy: -128.156
where: short stacking energy: -56.249
Base-Backbone interact. energy: -0.075
local terms energy: -64.024096
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -3.852
tors. eta vs tors. theta energy: -16.942
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: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -177.847960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.847960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.847960 (E_RNA)
where:
Base-Base interactions energy: -108.697
where: short stacking energy: -47.923
Base-Backbone interact. energy: -0.590
local terms energy: -68.560659
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -102.273005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.273005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.273005 (E_RNA)
where:
Base-Base interactions energy: -45.555
where: short stacking energy: -28.045
Base-Backbone interact. energy: -0.770
local terms energy: -55.948028
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -92.421834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.421834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.421834 (E_RNA)
where:
Base-Base interactions energy: -47.065
where: short stacking energy: -27.088
Base-Backbone interact. energy: -0.009
local terms energy: -45.348040
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -6.769
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: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -79.825697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.825697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.825697 (E_RNA)
where:
Base-Base interactions energy: -25.207
where: short stacking energy: -26.107
Base-Backbone interact. energy: -0.198
local terms energy: -54.421295
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -7.628
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: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -74.146771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.146771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.146771 (E_RNA)
where:
Base-Base interactions energy: -31.802
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.145
local terms energy: -42.199104
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -5.891
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -6.486
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: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -225.213346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.213346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.213346 (E_RNA)
where:
Base-Base interactions energy: -148.915
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.094
local terms energy: -76.204057
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -14.727
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: 475
Temperature: 0.950000
Total energy: -208.890735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.890735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.890735 (E_RNA)
where:
Base-Base interactions energy: -138.027
where: short stacking energy: -64.576
Base-Backbone interact. energy: -0.698
local terms energy: -70.165910
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -215.408037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.408037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.408037 (E_RNA)
where:
Base-Base interactions energy: -136.003
where: short stacking energy: -60.875
Base-Backbone interact. energy: -0.001
local terms energy: -79.403954
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -193.334006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.334006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.334006 (E_RNA)
where:
Base-Base interactions energy: -118.989
where: short stacking energy: -65.550
Base-Backbone interact. energy: -0.053
local terms energy: -74.292525
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -192.913000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.913000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.913000 (E_RNA)
where:
Base-Base interactions energy: -126.941
where: short stacking energy: -46.914
Base-Backbone interact. energy: -0.165
local terms energy: -65.806984
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -177.444197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.444197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.444197 (E_RNA)
where:
Base-Base interactions energy: -108.247
where: short stacking energy: -50.684
Base-Backbone interact. energy: -0.051
local terms energy: -69.146410
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -16.611
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: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -99.210194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.210194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.210194 (E_RNA)
where:
Base-Base interactions energy: -39.007
where: short stacking energy: -32.896
Base-Backbone interact. energy: -0.142
local terms energy: -60.061449
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -8.758
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: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -84.379078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.379078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.379078 (E_RNA)
where:
Base-Base interactions energy: -34.314
where: short stacking energy: -20.380
Base-Backbone interact. energy: -1.084
local terms energy: -48.980310
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -81.958620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.958620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.958620 (E_RNA)
where:
Base-Base interactions energy: -33.801
where: short stacking energy: -28.707
Base-Backbone interact. energy: -0.187
local terms energy: -47.969699
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -79.981388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.981388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.981388 (E_RNA)
where:
Base-Base interactions energy: -30.549
where: short stacking energy: -28.659
Base-Backbone interact. energy: -0.048
local terms energy: -49.384402
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -0.486
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: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -241.095596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.095596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.095596 (E_RNA)
where:
Base-Base interactions energy: -156.181
where: short stacking energy: -77.958
Base-Backbone interact. energy: -0.049
local terms energy: -84.865677
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -20.386
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: 6
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -206.930252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.930252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.930252 (E_RNA)
where:
Base-Base interactions energy: -135.738
where: short stacking energy: -62.975
Base-Backbone interact. energy: 0.272
local terms energy: -71.464589
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -204.027424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.027424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.027424 (E_RNA)
where:
Base-Base interactions energy: -130.919
where: short stacking energy: -64.371
Base-Backbone interact. energy: -0.002
local terms energy: -73.106717
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -214.551713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.551713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.551713 (E_RNA)
where:
Base-Base interactions energy: -142.249
where: short stacking energy: -66.387
Base-Backbone interact. energy: -1.076
local terms energy: -71.226636
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -18.579
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: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -190.674994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.674994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.674994 (E_RNA)
where:
Base-Base interactions energy: -128.908
where: short stacking energy: -49.521
Base-Backbone interact. energy: -0.197
local terms energy: -61.569739
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -181.662188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.662188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.662188 (E_RNA)
where:
Base-Base interactions energy: -115.768
where: short stacking energy: -53.608
Base-Backbone interact. energy: -0.103
local terms energy: -65.790462
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -12.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -86.033576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.033576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.033576 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.095
local terms energy: -51.402875
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -99.533231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.533231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.533231 (E_RNA)
where:
Base-Base interactions energy: -49.690
where: short stacking energy: -32.289
Base-Backbone interact. energy: -0.292
local terms energy: -49.550998
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -4.585
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: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -84.988743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.988743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.988743 (E_RNA)
where:
Base-Base interactions energy: -36.551
where: short stacking energy: -26.967
Base-Backbone interact. energy: -0.292
local terms energy: -48.146087
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -8.986
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -80.089374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.089374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.089374 (E_RNA)
where:
Base-Base interactions energy: -25.846
where: short stacking energy: -25.846
Base-Backbone interact. energy: -0.071
local terms energy: -54.171872
where:
bonds (distance) C4'-P energy: -8.231
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -227.724374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.724374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.724374 (E_RNA)
where:
Base-Base interactions energy: -157.052
where: short stacking energy: -75.758
Base-Backbone interact. energy: -0.016
local terms energy: -70.657030
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -8.076
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: 2, replica: 6
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -200.357127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.357127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.357127 (E_RNA)
where:
Base-Base interactions energy: -140.030
where: short stacking energy: -67.022
Base-Backbone interact. energy: -0.004
local terms energy: -60.323365
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -2.582
tors. eta vs tors. theta energy: -17.420
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: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -207.657391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.657391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.657391 (E_RNA)
where:
Base-Base interactions energy: -132.336
where: short stacking energy: -63.014
Base-Backbone interact. energy: -0.759
local terms energy: -74.563072
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -21.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -204.276505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.276505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.276505 (E_RNA)
where:
Base-Base interactions energy: -132.433
where: short stacking energy: -68.343
Base-Backbone interact. energy: 1.329
local terms energy: -73.172521
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -190.241441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.241441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.241441 (E_RNA)
where:
Base-Base interactions energy: -128.871
where: short stacking energy: -59.879
Base-Backbone interact. energy: -1.283
local terms energy: -60.087450
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -8.199
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -174.570273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.570273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.570273 (E_RNA)
where:
Base-Base interactions energy: -112.018
where: short stacking energy: -55.089
Base-Backbone interact. energy: -0.150
local terms energy: -62.402397
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -110.549419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.549419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.549419 (E_RNA)
where:
Base-Base interactions energy: -55.756
where: short stacking energy: -26.448
Base-Backbone interact. energy: -0.306
local terms energy: -54.487728
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -103.984149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.984149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.984149 (E_RNA)
where:
Base-Base interactions energy: -56.154
where: short stacking energy: -34.685
Base-Backbone interact. energy: -0.034
local terms energy: -47.795433
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -4.187
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: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -80.032719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.032719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.032719 (E_RNA)
where:
Base-Base interactions energy: -20.328
where: short stacking energy: -20.328
Base-Backbone interact. energy: -0.468
local terms energy: -59.235945
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -74.587764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.587764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.587764 (E_RNA)
where:
Base-Base interactions energy: -29.604
where: short stacking energy: -21.242
Base-Backbone interact. energy: 0.497
local terms energy: -45.480772
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -1.474
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: 1, replica: 6
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -210.324655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.324655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.324655 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -73.477
Base-Backbone interact. energy: -0.006
local terms energy: -77.047865
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -11.242
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: 2, replica: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -228.886861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.886861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.886861 (E_RNA)
where:
Base-Base interactions energy: -147.908
where: short stacking energy: -71.113
Base-Backbone interact. energy: -0.000
local terms energy: -80.978632
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -23.308
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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -205.346342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.346342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.346342 (E_RNA)
where:
Base-Base interactions energy: -133.091
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.000
local terms energy: -72.255098
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -209.542164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.542164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.542164 (E_RNA)
where:
Base-Base interactions energy: -140.973
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.251
local terms energy: -68.318449
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -11.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -179.543933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.543933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.543933 (E_RNA)
where:
Base-Base interactions energy: -115.065
where: short stacking energy: -56.916
Base-Backbone interact. energy: 0.239
local terms energy: -64.717853
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -182.659672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.659672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.659672 (E_RNA)
where:
Base-Base interactions energy: -127.858
where: short stacking energy: -50.450
Base-Backbone interact. energy: 0.276
local terms energy: -55.077447
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -8.225
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: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -81.806153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.806153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.806153 (E_RNA)
where:
Base-Base interactions energy: -31.526
where: short stacking energy: -29.290
Base-Backbone interact. energy: -0.200
local terms energy: -50.079737
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -7.688
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: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -85.337042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.337042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.337042 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -28.358
Base-Backbone interact. energy: -0.872
local terms energy: -53.555985
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -114.211604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.211604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.211604 (E_RNA)
where:
Base-Base interactions energy: -66.564
where: short stacking energy: -32.665
Base-Backbone interact. energy: -0.080
local terms energy: -47.568394
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -5.864
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: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -76.388210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.388210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.388210 (E_RNA)
where:
Base-Base interactions energy: -36.379
where: short stacking energy: -24.714
Base-Backbone interact. energy: -0.161
local terms energy: -39.848005
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -4.623
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -205.472018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.472018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.472018 (E_RNA)
where:
Base-Base interactions energy: -136.338
where: short stacking energy: -65.362
Base-Backbone interact. energy: -0.005
local terms energy: -69.129173
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -222.145736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.145736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.145736 (E_RNA)
where:
Base-Base interactions energy: -140.436
where: short stacking energy: -66.372
Base-Backbone interact. energy: -0.672
local terms energy: -81.037162
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -23.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -196.699109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.699109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.699109 (E_RNA)
where:
Base-Base interactions energy: -128.696
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.533
local terms energy: -67.470285
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -209.879677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.879677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.879677 (E_RNA)
where:
Base-Base interactions energy: -138.952
where: short stacking energy: -66.125
Base-Backbone interact. energy: 0.955
local terms energy: -71.882839
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -199.769568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.769568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.769568 (E_RNA)
where:
Base-Base interactions energy: -132.832
where: short stacking energy: -50.262
Base-Backbone interact. energy: -0.539
local terms energy: -66.398100
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -12.617
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: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -182.028480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.028480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.028480 (E_RNA)
where:
Base-Base interactions energy: -121.704
where: short stacking energy: -49.872
Base-Backbone interact. energy: 1.170
local terms energy: -61.493845
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -86.267603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.267603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.267603 (E_RNA)
where:
Base-Base interactions energy: -34.080
where: short stacking energy: -12.285
Base-Backbone interact. energy: -0.904
local terms energy: -51.284313
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -8.397
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: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -116.896223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.896223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.896223 (E_RNA)
where:
Base-Base interactions energy: -62.939
where: short stacking energy: -27.212
Base-Backbone interact. energy: -0.474
local terms energy: -53.482880
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -1.440
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: 479
Temperature: 1.300000
Total energy: -89.844158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.844158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.844158 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -38.143
Base-Backbone interact. energy: -0.170
local terms energy: -51.615380
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -3.887
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: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -79.792780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.792780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.792780 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -21.239
Base-Backbone interact. energy: -0.340
local terms energy: -39.529961
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -6.294
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: 4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -233.968051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.968051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.968051 (E_RNA)
where:
Base-Base interactions energy: -159.172
where: short stacking energy: -69.656
Base-Backbone interact. energy: -0.059
local terms energy: -74.737302
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -9.262
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: 2, replica: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -213.972507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.972507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.972507 (E_RNA)
where:
Base-Base interactions energy: -138.412
where: short stacking energy: -77.406
Base-Backbone interact. energy: -0.001
local terms energy: -75.559158
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -12.487
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: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -222.451507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.451507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.451507 (E_RNA)
where:
Base-Base interactions energy: -145.678
where: short stacking energy: -62.230
Base-Backbone interact. energy: -0.001
local terms energy: -76.773147
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -20.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -196.744184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.744184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.744184 (E_RNA)
where:
Base-Base interactions energy: -126.594
where: short stacking energy: -58.261
Base-Backbone interact. energy: 0.482
local terms energy: -70.631912
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -190.906241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.906241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.906241 (E_RNA)
where:
Base-Base interactions energy: -131.846
where: short stacking energy: -59.181
Base-Backbone interact. energy: -0.083
local terms energy: -58.977536
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -188.330164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.330164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.330164 (E_RNA)
where:
Base-Base interactions energy: -123.085
where: short stacking energy: -52.349
Base-Backbone interact. energy: -0.225
local terms energy: -65.020489
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -12.113
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: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -114.850536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.850536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.850536 (E_RNA)
where:
Base-Base interactions energy: -54.550
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.109
local terms energy: -60.191686
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -87.521425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.521425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.521425 (E_RNA)
where:
Base-Base interactions energy: -39.957
where: short stacking energy: -28.849
Base-Backbone interact. energy: 5.867
local terms energy: -53.431584
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -88.159040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.159040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.159040 (E_RNA)
where:
Base-Base interactions energy: -41.179
where: short stacking energy: -22.453
Base-Backbone interact. energy: -0.206
local terms energy: -46.773345
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -6.977
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: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -78.425551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.425551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.425551 (E_RNA)
where:
Base-Base interactions energy: -32.318
where: short stacking energy: -18.275
Base-Backbone interact. energy: 3.771
local terms energy: -49.878453
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -6.178
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: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -231.925813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.925813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.925813 (E_RNA)
where:
Base-Base interactions energy: -154.780
where: short stacking energy: -76.368
Base-Backbone interact. energy: -0.006
local terms energy: -77.139963
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -231.228388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.228388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.228388 (E_RNA)
where:
Base-Base interactions energy: -155.324
where: short stacking energy: -77.880
Base-Backbone interact. energy: -0.004
local terms energy: -75.900318
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -11.818
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: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -199.710551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.710551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.710551 (E_RNA)
where:
Base-Base interactions energy: -127.916
where: short stacking energy: -68.940
Base-Backbone interact. energy: -0.066
local terms energy: -71.728613
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -14.378
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: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -190.371932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.371932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.371932 (E_RNA)
where:
Base-Base interactions energy: -121.881
where: short stacking energy: -59.021
Base-Backbone interact. energy: 0.411
local terms energy: -68.902136
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -183.251116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.251116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.251116 (E_RNA)
where:
Base-Base interactions energy: -119.685
where: short stacking energy: -50.292
Base-Backbone interact. energy: -0.382
local terms energy: -63.184811
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -165.210206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.210206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.210206 (E_RNA)
where:
Base-Base interactions energy: -107.709
where: short stacking energy: -55.099
Base-Backbone interact. energy: 1.266
local terms energy: -58.766716
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -142.414753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.414753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.414753 (E_RNA)
where:
Base-Base interactions energy: -91.854
where: short stacking energy: -40.209
Base-Backbone interact. energy: -0.597
local terms energy: -49.964554
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -5.346
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -8.883
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: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -82.491202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.491202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.491202 (E_RNA)
where:
Base-Base interactions energy: -30.310
where: short stacking energy: -23.861
Base-Backbone interact. energy: -1.005
local terms energy: -51.176243
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: 0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -79.504068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.504068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.504068 (E_RNA)
where:
Base-Base interactions energy: -28.185
where: short stacking energy: -25.051
Base-Backbone interact. energy: -0.058
local terms energy: -51.260442
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -86.251350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.251350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.251350 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -33.127
Base-Backbone interact. energy: -0.548
local terms energy: -47.451851
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -6.152
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: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -224.406832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.406832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.406832 (E_RNA)
where:
Base-Base interactions energy: -145.518
where: short stacking energy: -78.029
Base-Backbone interact. energy: -0.005
local terms energy: -78.884017
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -9.382
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: 2, replica: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -222.830415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.830415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.830415 (E_RNA)
where:
Base-Base interactions energy: -144.513
where: short stacking energy: -72.355
Base-Backbone interact. energy: -0.061
local terms energy: -78.256003
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -204.013148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.013148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.013148 (E_RNA)
where:
Base-Base interactions energy: -138.629
where: short stacking energy: -57.883
Base-Backbone interact. energy: -0.102
local terms energy: -65.282615
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -200.918663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.918663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.918663 (E_RNA)
where:
Base-Base interactions energy: -132.079
where: short stacking energy: -70.175
Base-Backbone interact. energy: -0.002
local terms energy: -68.837871
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -194.354839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.354839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.354839 (E_RNA)
where:
Base-Base interactions energy: -128.101
where: short stacking energy: -68.597
Base-Backbone interact. energy: -0.002
local terms energy: -66.251617
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -8.798
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: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -182.738465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.738465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.738465 (E_RNA)
where:
Base-Base interactions energy: -120.960
where: short stacking energy: -52.526
Base-Backbone interact. energy: 1.313
local terms energy: -63.090813
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -99.524960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.524960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.524960 (E_RNA)
where:
Base-Base interactions energy: -48.636
where: short stacking energy: -47.722
Base-Backbone interact. energy: -0.052
local terms energy: -50.837678
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -8.678
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -9.888
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: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -134.229180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.229180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.229180 (E_RNA)
where:
Base-Base interactions energy: -78.433
where: short stacking energy: -41.552
Base-Backbone interact. energy: -0.303
local terms energy: -55.493262
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -86.296964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.296964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.296964 (E_RNA)
where:
Base-Base interactions energy: -34.185
where: short stacking energy: -24.271
Base-Backbone interact. energy: -0.106
local terms energy: -52.006520
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -5.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -83.529254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.529254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.529254 (E_RNA)
where:
Base-Base interactions energy: -35.086
where: short stacking energy: -35.086
Base-Backbone interact. energy: -0.005
local terms energy: -48.437414
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -227.936895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.936895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.936895 (E_RNA)
where:
Base-Base interactions energy: -144.676
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.243
local terms energy: -83.017965
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -224.527415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.527415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.527415 (E_RNA)
where:
Base-Base interactions energy: -153.223
where: short stacking energy: -71.285
Base-Backbone interact. energy: 1.876
local terms energy: -73.180702
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -19.164
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: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -193.172460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.172460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.172460 (E_RNA)
where:
Base-Base interactions energy: -125.099
where: short stacking energy: -58.689
Base-Backbone interact. energy: -0.005
local terms energy: -68.068430
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -11.527
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: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -188.221334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.221334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.221334 (E_RNA)
where:
Base-Base interactions energy: -124.400
where: short stacking energy: -56.323
Base-Backbone interact. energy: 0.710
local terms energy: -64.531598
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -177.855917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.855917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.855917 (E_RNA)
where:
Base-Base interactions energy: -118.167
where: short stacking energy: -51.293
Base-Backbone interact. energy: -0.116
local terms energy: -59.573009
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -177.091391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.091391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.091391 (E_RNA)
where:
Base-Base interactions energy: -120.293
where: short stacking energy: -50.335
Base-Backbone interact. energy: 1.708
local terms energy: -58.506793
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -13.041
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: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -91.505635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.505635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.505635 (E_RNA)
where:
Base-Base interactions energy: -36.228
where: short stacking energy: -36.228
Base-Backbone interact. energy: -0.012
local terms energy: -55.265683
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -128.891482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.891482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.891482 (E_RNA)
where:
Base-Base interactions energy: -71.411
where: short stacking energy: -33.453
Base-Backbone interact. energy: -0.586
local terms energy: -56.895140
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -75.417582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.417582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.417582 (E_RNA)
where:
Base-Base interactions energy: -24.984
where: short stacking energy: -15.805
Base-Backbone interact. energy: -0.914
local terms energy: -49.519615
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: 1.004
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: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -82.998755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.998755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.998755 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -30.640
Base-Backbone interact. energy: 0.961
local terms energy: -53.320172
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -229.928774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.928774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.928774 (E_RNA)
where:
Base-Base interactions energy: -147.221
where: short stacking energy: -74.306
Base-Backbone interact. energy: -0.002
local terms energy: -82.705275
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -221.346858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.346858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.346858 (E_RNA)
where:
Base-Base interactions energy: -143.882
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.044
local terms energy: -77.420801
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -8.983
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: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -204.537284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.537284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.537284 (E_RNA)
where:
Base-Base interactions energy: -141.798
where: short stacking energy: -56.283
Base-Backbone interact. energy: -0.080
local terms energy: -62.660058
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -189.772366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.772366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.772366 (E_RNA)
where:
Base-Base interactions energy: -121.853
where: short stacking energy: -63.780
Base-Backbone interact. energy: -0.039
local terms energy: -67.879897
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -16.180
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: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -171.671289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.671289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.671289 (E_RNA)
where:
Base-Base interactions energy: -110.320
where: short stacking energy: -47.332
Base-Backbone interact. energy: -0.128
local terms energy: -61.223530
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -165.759070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.759070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.759070 (E_RNA)
where:
Base-Base interactions energy: -104.714
where: short stacking energy: -46.084
Base-Backbone interact. energy: -0.348
local terms energy: -60.696996
where:
bonds (distance) C4'-P energy: -9.447
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -140.425220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.425220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.425220 (E_RNA)
where:
Base-Base interactions energy: -79.220
where: short stacking energy: -36.289
Base-Backbone interact. energy: -0.223
local terms energy: -60.981576
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -6.996
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: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -89.286860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.286860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.286860 (E_RNA)
where:
Base-Base interactions energy: -39.152
where: short stacking energy: -34.401
Base-Backbone interact. energy: -0.109
local terms energy: -50.025541
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -79.647152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.647152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.647152 (E_RNA)
where:
Base-Base interactions energy: -39.281
where: short stacking energy: -29.239
Base-Backbone interact. energy: -0.044
local terms energy: -40.321436
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -82.414200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.414200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.414200 (E_RNA)
where:
Base-Base interactions energy: -29.440
where: short stacking energy: -29.440
Base-Backbone interact. energy: 0.957
local terms energy: -53.930935
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -228.144070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.144070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.144070 (E_RNA)
where:
Base-Base interactions energy: -147.741
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.023
local terms energy: -80.380451
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -202.590825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.590825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.590825 (E_RNA)
where:
Base-Base interactions energy: -129.896
where: short stacking energy: -56.877
Base-Backbone interact. energy: 1.147
local terms energy: -73.842087
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -217.142467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.142467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.142467 (E_RNA)
where:
Base-Base interactions energy: -144.532
where: short stacking energy: -77.960
Base-Backbone interact. energy: -0.004
local terms energy: -72.606412
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -22.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -177.168690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.168690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.168690 (E_RNA)
where:
Base-Base interactions energy: -121.001
where: short stacking energy: -51.194
Base-Backbone interact. energy: -0.042
local terms energy: -56.124838
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -170.337854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.337854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.337854 (E_RNA)
where:
Base-Base interactions energy: -107.571
where: short stacking energy: -46.040
Base-Backbone interact. energy: -0.054
local terms energy: -62.713100
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -12.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -163.746248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.746248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.746248 (E_RNA)
where:
Base-Base interactions energy: -103.338
where: short stacking energy: -47.819
Base-Backbone interact. energy: -0.178
local terms energy: -60.229735
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -8.758
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: 485
Temperature: 1.200000
Total energy: -134.638242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.638242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.638242 (E_RNA)
where:
Base-Base interactions energy: -82.984
where: short stacking energy: -46.500
Base-Backbone interact. energy: 0.550
local terms energy: -52.204445
where:
bonds (distance) C4'-P energy: -6.272
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -90.100774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.100774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.100774 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -33.045
Base-Backbone interact. energy: 1.741
local terms energy: -58.796893
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -79.360788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.360788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.360788 (E_RNA)
where:
Base-Base interactions energy: -34.460
where: short stacking energy: -29.056
Base-Backbone interact. energy: -0.557
local terms energy: -44.343307
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -4.768
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: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -73.200505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.200505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.200505 (E_RNA)
where:
Base-Base interactions energy: -26.680
where: short stacking energy: -26.680
Base-Backbone interact. energy: -0.215
local terms energy: -46.305404
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -9.137
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: 1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -232.892009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.892009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.892009 (E_RNA)
where:
Base-Base interactions energy: -152.139
where: short stacking energy: -77.462
Base-Backbone interact. energy: -0.276
local terms energy: -80.477076
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -208.827695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.827695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.827695 (E_RNA)
where:
Base-Base interactions energy: -144.469
where: short stacking energy: -61.986
Base-Backbone interact. energy: -0.162
local terms energy: -64.196975
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -221.705437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.705437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.705437 (E_RNA)
where:
Base-Base interactions energy: -141.339
where: short stacking energy: -71.915
Base-Backbone interact. energy: -0.001
local terms energy: -80.365061
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -201.380269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.380269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.380269 (E_RNA)
where:
Base-Base interactions energy: -139.692
where: short stacking energy: -68.322
Base-Backbone interact. energy: -0.019
local terms energy: -61.669890
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -5.854
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: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -177.957125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.957125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.957125 (E_RNA)
where:
Base-Base interactions energy: -119.084
where: short stacking energy: -46.675
Base-Backbone interact. energy: 0.114
local terms energy: -58.987445
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -176.240407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.240407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.240407 (E_RNA)
where:
Base-Base interactions energy: -122.221
where: short stacking energy: -58.970
Base-Backbone interact. energy: -0.103
local terms energy: -53.915688
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -7.993
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -123.419453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.419453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.419453 (E_RNA)
where:
Base-Base interactions energy: -75.356
where: short stacking energy: -33.520
Base-Backbone interact. energy: -0.445
local terms energy: -47.618306
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -4.167
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: 8, replica: 9
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -85.289906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.289906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.289906 (E_RNA)
where:
Base-Base interactions energy: -35.144
where: short stacking energy: -35.144
Base-Backbone interact. energy: -0.002
local terms energy: -50.143876
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -80.167536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.167536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.167536 (E_RNA)
where:
Base-Base interactions energy: -28.784
where: short stacking energy: -28.747
Base-Backbone interact. energy: 1.700
local terms energy: -53.084297
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -81.011093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.011093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.011093 (E_RNA)
where:
Base-Base interactions energy: -30.358
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.133
local terms energy: -50.520204
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -5.869
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -231.924130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.924130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.924130 (E_RNA)
where:
Base-Base interactions energy: -148.634
where: short stacking energy: -72.852
Base-Backbone interact. energy: -0.597
local terms energy: -82.693570
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -208.906265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.906265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.906265 (E_RNA)
where:
Base-Base interactions energy: -147.648
where: short stacking energy: -54.418
Base-Backbone interact. energy: -0.417
local terms energy: -60.840903
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -11.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -218.239480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.239480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.239480 (E_RNA)
where:
Base-Base interactions energy: -143.939
where: short stacking energy: -69.504
Base-Backbone interact. energy: -0.260
local terms energy: -74.040448
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -181.025354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.025354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.025354 (E_RNA)
where:
Base-Base interactions energy: -119.800
where: short stacking energy: -57.767
Base-Backbone interact. energy: -0.264
local terms energy: -60.960808
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -11.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -184.286090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.286090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.286090 (E_RNA)
where:
Base-Base interactions energy: -108.109
where: short stacking energy: -52.501
Base-Backbone interact. energy: -0.082
local terms energy: -76.094523
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -10.503
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: 6, replica: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -165.709343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.709343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.709343 (E_RNA)
where:
Base-Base interactions energy: -108.289
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.055
local terms energy: -57.365262
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -106.646707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.646707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.646707 (E_RNA)
where:
Base-Base interactions energy: -51.223
where: short stacking energy: -39.098
Base-Backbone interact. energy: 0.028
local terms energy: -55.451993
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -85.028457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028457 (E_RNA)
where:
Base-Base interactions energy: -31.482
where: short stacking energy: -22.070
Base-Backbone interact. energy: -0.097
local terms energy: -53.450021
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -0.558
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: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -90.992185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.992185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.992185 (E_RNA)
where:
Base-Base interactions energy: -33.926
where: short stacking energy: -30.197
Base-Backbone interact. energy: -0.159
local terms energy: -56.907080
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -4.411
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: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -77.968408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.968408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.968408 (E_RNA)
where:
Base-Base interactions energy: -29.411
where: short stacking energy: -29.411
Base-Backbone interact. energy: -0.029
local terms energy: -48.528563
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -9.052
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -203.951797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.951797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.951797 (E_RNA)
where:
Base-Base interactions energy: -138.708
where: short stacking energy: -58.148
Base-Backbone interact. energy: -0.779
local terms energy: -64.465446
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -225.572860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.572860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.572860 (E_RNA)
where:
Base-Base interactions energy: -152.708
where: short stacking energy: -69.578
Base-Backbone interact. energy: -0.001
local terms energy: -72.864320
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.918
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: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -194.706191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.706191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.706191 (E_RNA)
where:
Base-Base interactions energy: -134.460
where: short stacking energy: -47.574
Base-Backbone interact. energy: -0.712
local terms energy: -59.534273
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -9.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -210.472323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.472323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.472323 (E_RNA)
where:
Base-Base interactions energy: -138.537
where: short stacking energy: -70.921
Base-Backbone interact. energy: -0.006
local terms energy: -71.929645
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -16.547
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: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -192.607964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.607964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.607964 (E_RNA)
where:
Base-Base interactions energy: -122.066
where: short stacking energy: -58.517
Base-Backbone interact. energy: -0.645
local terms energy: -69.897653
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -172.820778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.820778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.820778 (E_RNA)
where:
Base-Base interactions energy: -112.922
where: short stacking energy: -50.538
Base-Backbone interact. energy: 1.056
local terms energy: -60.955058
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -10.048
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: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -112.598135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.598135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.598135 (E_RNA)
where:
Base-Base interactions energy: -60.027
where: short stacking energy: -38.822
Base-Backbone interact. energy: -0.038
local terms energy: -52.533139
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -8.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -82.404947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.404947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.404947 (E_RNA)
where:
Base-Base interactions energy: -34.082
where: short stacking energy: -33.470
Base-Backbone interact. energy: -0.139
local terms energy: -48.183931
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -76.729940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.729940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.729940 (E_RNA)
where:
Base-Base interactions energy: -33.976
where: short stacking energy: -25.853
Base-Backbone interact. energy: -0.185
local terms energy: -42.569426
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -2.809
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: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -78.971724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.971724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.971724 (E_RNA)
where:
Base-Base interactions energy: -25.523
where: short stacking energy: -18.333
Base-Backbone interact. energy: -0.025
local terms energy: -53.423979
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -7.649
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -205.610546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.610546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.610546 (E_RNA)
where:
Base-Base interactions energy: -133.206
where: short stacking energy: -53.582
Base-Backbone interact. energy: -1.174
local terms energy: -71.230701
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -220.375096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.375096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.375096 (E_RNA)
where:
Base-Base interactions energy: -142.086
where: short stacking energy: -70.726
Base-Backbone interact. energy: -0.218
local terms energy: -78.071230
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -19.740
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: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -189.347941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.347941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.347941 (E_RNA)
where:
Base-Base interactions energy: -125.535
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.095
local terms energy: -63.718099
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -193.951781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.951781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.951781 (E_RNA)
where:
Base-Base interactions energy: -132.909
where: short stacking energy: -53.409
Base-Backbone interact. energy: -0.388
local terms energy: -60.655249
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -189.920889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.920889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.920889 (E_RNA)
where:
Base-Base interactions energy: -121.558
where: short stacking energy: -60.460
Base-Backbone interact. energy: -0.030
local terms energy: -68.332305
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -176.368769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.368769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.368769 (E_RNA)
where:
Base-Base interactions energy: -107.770
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.313
local terms energy: -68.285306
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -16.274
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: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -118.136176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.136176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.136176 (E_RNA)
where:
Base-Base interactions energy: -61.638
where: short stacking energy: -36.100
Base-Backbone interact. energy: -1.589
local terms energy: -54.908904
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -4.645
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: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -89.279126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.279126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.279126 (E_RNA)
where:
Base-Base interactions energy: -34.714
where: short stacking energy: -29.080
Base-Backbone interact. energy: -0.074
local terms energy: -54.490714
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -79.228147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.228147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.228147 (E_RNA)
where:
Base-Base interactions energy: -27.566
where: short stacking energy: -27.174
Base-Backbone interact. energy: -0.284
local terms energy: -51.377599
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -8.111
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: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -84.317434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.317434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.317434 (E_RNA)
where:
Base-Base interactions energy: -28.948
where: short stacking energy: -26.674
Base-Backbone interact. energy: -0.013
local terms energy: -55.356571
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -234.035939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.035939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.035939 (E_RNA)
where:
Base-Base interactions energy: -154.404
where: short stacking energy: -73.190
Base-Backbone interact. energy: -0.004
local terms energy: -79.627968
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -194.310919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.310919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.310919 (E_RNA)
where:
Base-Base interactions energy: -122.443
where: short stacking energy: -68.866
Base-Backbone interact. energy: 0.364
local terms energy: -72.231802
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -193.493294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.493294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.493294 (E_RNA)
where:
Base-Base interactions energy: -123.411
where: short stacking energy: -64.015
Base-Backbone interact. energy: -0.008
local terms energy: -70.074737
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -13.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -174.812668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.812668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.812668 (E_RNA)
where:
Base-Base interactions energy: -103.131
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.380
local terms energy: -71.301791
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -13.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -185.165124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.165124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.165124 (E_RNA)
where:
Base-Base interactions energy: -109.869
where: short stacking energy: -59.170
Base-Backbone interact. energy: -0.054
local terms energy: -75.242509
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -197.334862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.334862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.334862 (E_RNA)
where:
Base-Base interactions energy: -131.812
where: short stacking energy: -55.210
Base-Backbone interact. energy: -0.175
local terms energy: -65.347698
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -8.582
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: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -92.385779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.385779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.385779 (E_RNA)
where:
Base-Base interactions energy: -37.894
where: short stacking energy: -34.401
Base-Backbone interact. energy: -0.181
local terms energy: -54.310846
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -86.422660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.422660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.422660 (E_RNA)
where:
Base-Base interactions energy: -37.496
where: short stacking energy: -37.496
Base-Backbone interact. energy: -0.325
local terms energy: -48.601287
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -82.012461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.012461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.012461 (E_RNA)
where:
Base-Base interactions energy: -33.932
where: short stacking energy: -33.932
Base-Backbone interact. energy: -0.056
local terms energy: -48.024034
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -91.816805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.816805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.816805 (E_RNA)
where:
Base-Base interactions energy: -43.606
where: short stacking energy: -43.606
Base-Backbone interact. energy: -0.005
local terms energy: -48.205579
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -228.521849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.521849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.521849 (E_RNA)
where:
Base-Base interactions energy: -151.031
where: short stacking energy: -75.526
Base-Backbone interact. energy: 1.109
local terms energy: -78.600240
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -205.335434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.335434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.335434 (E_RNA)
where:
Base-Base interactions energy: -136.478
where: short stacking energy: -57.733
Base-Backbone interact. energy: -1.493
local terms energy: -67.364302
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -11.299
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: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -220.913543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.913543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.913543 (E_RNA)
where:
Base-Base interactions energy: -158.321
where: short stacking energy: -70.043
Base-Backbone interact. energy: -0.286
local terms energy: -62.306852
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -2.196
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -184.931705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.931705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.931705 (E_RNA)
where:
Base-Base interactions energy: -114.517
where: short stacking energy: -55.896
Base-Backbone interact. energy: -0.012
local terms energy: -70.402837
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -181.328980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.328980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.328980 (E_RNA)
where:
Base-Base interactions energy: -112.799
where: short stacking energy: -57.694
Base-Backbone interact. energy: -0.046
local terms energy: -68.483884
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -185.061876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.061876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.061876 (E_RNA)
where:
Base-Base interactions energy: -128.991
where: short stacking energy: -53.385
Base-Backbone interact. energy: -0.199
local terms energy: -55.871880
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -82.002106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.002106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.002106 (E_RNA)
where:
Base-Base interactions energy: -29.224
where: short stacking energy: -22.251
Base-Backbone interact. energy: 0.470
local terms energy: -53.248112
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: 1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -86.356264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.356264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.356264 (E_RNA)
where:
Base-Base interactions energy: -32.144
where: short stacking energy: -32.144
Base-Backbone interact. energy: -0.007
local terms energy: -54.204882
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -5.335
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: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -88.925777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.925777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.925777 (E_RNA)
where:
Base-Base interactions energy: -35.717
where: short stacking energy: -23.757
Base-Backbone interact. energy: 2.411
local terms energy: -55.619651
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -12.808
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: 10, replica: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -69.771182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.771182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.771182 (E_RNA)
where:
Base-Base interactions energy: -19.071
where: short stacking energy: -19.071
Base-Backbone interact. energy: -0.148
local terms energy: -50.551788
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -5.035
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: 1, replica: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -210.514582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.514582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.514582 (E_RNA)
where:
Base-Base interactions energy: -137.914
where: short stacking energy: -58.309
Base-Backbone interact. energy: -0.487
local terms energy: -72.113264
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -15.457
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: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -223.826902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.826902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.826902 (E_RNA)
where:
Base-Base interactions energy: -148.976
where: short stacking energy: -68.262
Base-Backbone interact. energy: -0.006
local terms energy: -74.845256
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -19.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -203.487982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.487982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.487982 (E_RNA)
where:
Base-Base interactions energy: -136.148
where: short stacking energy: -64.704
Base-Backbone interact. energy: -0.144
local terms energy: -67.195438
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -193.005813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.005813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.005813 (E_RNA)
where:
Base-Base interactions energy: -122.475
where: short stacking energy: -65.820
Base-Backbone interact. energy: 2.712
local terms energy: -73.243283
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -16.884
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: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -183.871411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.871411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.871411 (E_RNA)
where:
Base-Base interactions energy: -125.628
where: short stacking energy: -57.937
Base-Backbone interact. energy: -0.156
local terms energy: -58.087039
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -175.182211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.182211 (E_RNA)
where:
Base-Base interactions energy: -119.141
where: short stacking energy: -52.873
Base-Backbone interact. energy: -0.086
local terms energy: -55.955561
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -93.018108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.018108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.018108 (E_RNA)
where:
Base-Base interactions energy: -33.706
where: short stacking energy: -32.921
Base-Backbone interact. energy: -0.005
local terms energy: -59.306544
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -6.731
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: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -88.629724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.629724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.629724 (E_RNA)
where:
Base-Base interactions energy: -34.163
where: short stacking energy: -28.035
Base-Backbone interact. energy: -0.194
local terms energy: -54.273129
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -86.800646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.800646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.800646 (E_RNA)
where:
Base-Base interactions energy: -31.857
where: short stacking energy: -31.857
Base-Backbone interact. energy: 0.302
local terms energy: -55.245321
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -100.138782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.138782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.138782 (E_RNA)
where:
Base-Base interactions energy: -60.584
where: short stacking energy: -26.671
Base-Backbone interact. energy: -0.268
local terms energy: -39.286728
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -2.053
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)
out arg RESULTS//1/USUV-30a94c61_01
DONE
DONE
==================================
temp. level: 1, replica: 6
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -215.039288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.039288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.039288 (E_RNA)
where:
Base-Base interactions energy: -147.663
where: short stacking energy: -63.721
Base-Backbone interact. energy: -0.120
local terms energy: -67.256285
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -229.219044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.219044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.219044 (E_RNA)
where:
Base-Base interactions energy: -152.686
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.004
local terms energy: -76.528679
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -7.091
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: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -216.119816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.119816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.119816 (E_RNA)
where:
Base-Base interactions energy: -157.535
where: short stacking energy: -62.861
Base-Backbone interact. energy: -0.027
local terms energy: -58.557932
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -185.076908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.076908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.076908 (E_RNA)
where:
Base-Base interactions energy: -125.118
where: short stacking energy: -59.115
Base-Backbone interact. energy: -0.013
local terms energy: -59.946460
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -11.788
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: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -166.345399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.345399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.345399 (E_RNA)
where:
Base-Base interactions energy: -105.368
where: short stacking energy: -53.650
Base-Backbone interact. energy: 0.275
local terms energy: -61.252602
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -172.803729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.803729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.803729 (E_RNA)
where:
Base-Base interactions energy: -108.992
where: short stacking energy: -50.610
Base-Backbone interact. energy: -0.219
local terms energy: -63.592543
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -104.834850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.834850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.834850 (E_RNA)
where:
Base-Base interactions energy: -44.928
where: short stacking energy: -30.323
Base-Backbone interact. energy: 0.747
local terms energy: -60.653891
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -5.638
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: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -91.387386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.387386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.387386 (E_RNA)
where:
Base-Base interactions energy: -39.523
where: short stacking energy: -37.459
Base-Backbone interact. energy: -0.246
local terms energy: -51.618476
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -5.581
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: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -86.324129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.324129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.324129 (E_RNA)
where:
Base-Base interactions energy: -39.759
where: short stacking energy: -19.529
Base-Backbone interact. energy: 0.409
local terms energy: -46.973207
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: 3.153
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: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -85.996825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.996825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.996825 (E_RNA)
where:
Base-Base interactions energy: -38.403
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.142
local terms energy: -47.451840
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -230.217422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.217422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.217422 (E_RNA)
where:
Base-Base interactions energy: -151.480
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.360
local terms energy: -78.377906
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -198.071952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.071952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.071952 (E_RNA)
where:
Base-Base interactions energy: -130.383
where: short stacking energy: -54.211
Base-Backbone interact. energy: -0.035
local terms energy: -67.653903
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -219.873391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.873391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.873391 (E_RNA)
where:
Base-Base interactions energy: -145.320
where: short stacking energy: -59.810
Base-Backbone interact. energy: 0.090
local terms energy: -74.643610
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -183.035665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.035665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.035665 (E_RNA)
where:
Base-Base interactions energy: -115.960
where: short stacking energy: -53.728
Base-Backbone interact. energy: -0.106
local terms energy: -66.969286
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -197.249583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.249583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.249583 (E_RNA)
where:
Base-Base interactions energy: -121.190
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.517
local terms energy: -75.542714
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -21.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -184.604192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.604192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.604192 (E_RNA)
where:
Base-Base interactions energy: -116.105
where: short stacking energy: -54.992
Base-Backbone interact. energy: 0.820
local terms energy: -69.319680
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -10.991
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: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -82.059781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.059781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.059781 (E_RNA)
where:
Base-Base interactions energy: -31.306
where: short stacking energy: -31.306
Base-Backbone interact. energy: 0.141
local terms energy: -50.894141
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -3.012
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: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -84.259024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.259024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.259024 (E_RNA)
where:
Base-Base interactions energy: -30.302
where: short stacking energy: -27.643
Base-Backbone interact. energy: -0.399
local terms energy: -53.558677
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -102.142646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.142646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.142646 (E_RNA)
where:
Base-Base interactions energy: -49.857
where: short stacking energy: -25.049
Base-Backbone interact. energy: -0.291
local terms energy: -51.994985
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -95.156455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.156455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.156455 (E_RNA)
where:
Base-Base interactions energy: -36.921
where: short stacking energy: -36.921
Base-Backbone interact. energy: 0.357
local terms energy: -58.592111
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -11.168
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -220.997678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.997678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.997678 (E_RNA)
where:
Base-Base interactions energy: -143.969
where: short stacking energy: -62.761
Base-Backbone interact. energy: -0.061
local terms energy: -76.967815
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -223.966676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.966676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.966676 (E_RNA)
where:
Base-Base interactions energy: -154.210
where: short stacking energy: -58.370
Base-Backbone interact. energy: -0.119
local terms energy: -69.637850
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -17.687
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: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -194.592508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.592508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.592508 (E_RNA)
where:
Base-Base interactions energy: -118.908
where: short stacking energy: -58.920
Base-Backbone interact. energy: -0.042
local terms energy: -75.642628
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -196.955719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.955719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.955719 (E_RNA)
where:
Base-Base interactions energy: -126.094
where: short stacking energy: -63.413
Base-Backbone interact. energy: 0.561
local terms energy: -71.423330
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -194.749895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.749895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.749895 (E_RNA)
where:
Base-Base interactions energy: -129.602
where: short stacking energy: -58.055
Base-Backbone interact. energy: -1.089
local terms energy: -64.059199
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -1.460
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -202.366899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.366899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.366899 (E_RNA)
where:
Base-Base interactions energy: -132.561
where: short stacking energy: -57.034
Base-Backbone interact. energy: -0.706
local terms energy: -69.099223
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -83.073628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.073628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.073628 (E_RNA)
where:
Base-Base interactions energy: -38.792
where: short stacking energy: -38.370
Base-Backbone interact. energy: -0.145
local terms energy: -44.136768
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -84.421072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.421072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.421072 (E_RNA)
where:
Base-Base interactions energy: -26.747
where: short stacking energy: -24.213
Base-Backbone interact. energy: -0.215
local terms energy: -57.459620
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -83.256318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.256318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.256318 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -30.081
Base-Backbone interact. energy: -0.238
local terms energy: -43.288815
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -2.402
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -81.980347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.980347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.980347 (E_RNA)
where:
Base-Base interactions energy: -33.098
where: short stacking energy: -30.946
Base-Backbone interact. energy: -0.071
local terms energy: -48.811666
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -1.874
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -221.600837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.600837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.600837 (E_RNA)
where:
Base-Base interactions energy: -151.795
where: short stacking energy: -74.517
Base-Backbone interact. energy: -0.001
local terms energy: -69.804573
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -228.127431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.127431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.127431 (E_RNA)
where:
Base-Base interactions energy: -157.394
where: short stacking energy: -56.121
Base-Backbone interact. energy: 0.021
local terms energy: -70.754710
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -194.666572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.666572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.666572 (E_RNA)
where:
Base-Base interactions energy: -130.360
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.036
local terms energy: -64.270792
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -201.622511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.622511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.622511 (E_RNA)
where:
Base-Base interactions energy: -130.638
where: short stacking energy: -61.744
Base-Backbone interact. energy: -0.105
local terms energy: -70.879731
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -15.014
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: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -220.848438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.848438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.848438 (E_RNA)
where:
Base-Base interactions energy: -141.639
where: short stacking energy: -68.056
Base-Backbone interact. energy: -0.254
local terms energy: -78.955578
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -195.528635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.528635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.528635 (E_RNA)
where:
Base-Base interactions energy: -131.065
where: short stacking energy: -62.384
Base-Backbone interact. energy: -0.489
local terms energy: -63.974528
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -91.473593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.473593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.473593 (E_RNA)
where:
Base-Base interactions energy: -32.842
where: short stacking energy: -29.019
Base-Backbone interact. energy: -0.049
local terms energy: -58.581864
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -95.367586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.367586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.367586 (E_RNA)
where:
Base-Base interactions energy: -34.747
where: short stacking energy: -33.687
Base-Backbone interact. energy: -0.062
local terms energy: -60.558752
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -86.855103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.855103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.855103 (E_RNA)
where:
Base-Base interactions energy: -41.901
where: short stacking energy: -35.661
Base-Backbone interact. energy: -0.059
local terms energy: -44.895284
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -73.911416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.911416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.911416 (E_RNA)
where:
Base-Base interactions energy: -27.268
where: short stacking energy: -23.812
Base-Backbone interact. energy: -0.451
local terms energy: -46.192078
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -2.995
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)